#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/18/2201868.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2201868
loop_
_publ_author_name
'Ahmed, Moawia O.'
'Liao, Jin-Long'
'Chen, Xiwen'
'Chen, Show-An'
'Kaldis, John H.'
_publ_section_title
;
 Anhydrous
 tris(dibenzoylmethanido)(o-phenanthroline)europium(III),
 [Eu(DBM)₃(Phen)]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m29
_journal_page_last               m32
_journal_paper_doi               10.1107/S1600536802023036
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Eu (C15 H11 O2)3 (C12 H8 N2)]'
_chemical_formula_moiety         'C57 H41 Eu N2 O6'
_chemical_formula_sum            'C57 H41 Eu N2 O6'
_chemical_formula_weight         1001.88
_chemical_melting_point          460.0(10)
_chemical_name_systematic
;
tris(dibenzoylmethanido)(o-phenanthroline)europium(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                103.844(6)
_cell_angle_beta                 91.466(6)
_cell_angle_gamma                101.585(6)
_cell_formula_units_Z            10
_cell_length_a                   16.275(6)
_cell_length_b                   23.504(9)
_cell_length_c                   31.712(12)
_cell_measurement_reflns_used    1016
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      54.789
_cell_measurement_theta_min      4.379
_cell_volume                     11504(8)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1998)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_sigmaI/netI    0.1105
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            102650
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.418
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelpiped
_exptl_crystal_F_000             5080
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.676
_refine_ls_extinction_coef       0.000029(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXTL
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2972
_refine_ls_number_reflns         49686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0222P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0945
_reflns_number_gt                32004
_reflns_number_total             49686
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ci6182.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '459-461 K' was changed to
'460.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '459-461 K' was changed to
'460.0(10)' - the average value was taken and precision was
estimated.

'_symmetry_cell_setting' value 'Triclinic' changed to
'triclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        11504(7)
_cod_database_code               2201868
_cod_database_fobs_code          2201868
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Eu1A 0.323598(14) 0.195554(10) 0.095501(8) 0.02199(6) Uani d . 1 . . Eu
N1A 0.3598(2) 0.17570(17) 0.17200(12) 0.0259(9) Uani d . 1 . . N
O1A 0.17575(18) 0.17515(14) 0.08978(10) 0.0331(8) Uani d . 1 . . O
C1A 0.3958(3) 0.2204(2) 0.20543(16) 0.0296(12) Uani d . 1 . . C
H1AA 0.4125 0.2594 0.2007 0.036 Uiso calc R 1 . . H
N2A 0.2837(2) 0.08363(17) 0.10403(14) 0.0362(11) Uani d . 1 . . N
O2A 0.27487(17) 0.26486(13) 0.15186(10) 0.0264(8) Uani d . 1 . . O
C2A 0.4104(3) 0.2129(2) 0.24756(17) 0.0398(14) Uani d . 1 . . C
H2AA 0.4369 0.2461 0.2705 0.048 Uiso calc R 1 . . H
O3A 0.44244(18) 0.27069(13) 0.12464(10) 0.0276(8) Uani d . 1 . . O
C3A 0.3861(3) 0.1573(3) 0.25493(18) 0.0473(16) Uani d . 1 . . C
H3AA 0.3949 0.1515 0.2832 0.057 Uiso calc R 1 . . H
O4A 0.44149(18) 0.15565(13) 0.08048(10) 0.0272(8) Uani d . 1 . . O
C4A 0.3484(3) 0.1094(2) 0.22065(18) 0.0387(14) Uani d . 1 . . C
O5A 0.27953(18) 0.13808(13) 0.02175(10) 0.0273(8) Uani d . 1 . . O
C5A 0.3222(4) 0.0492(3) 0.2256(2) 0.0537(17) Uani d . 1 . . C
H5AA 0.3293 0.0416 0.2534 0.064 Uiso calc R 1 . . H
O6A 0.33315(19) 0.26244(13) 0.05030(10) 0.0301(8) Uani d . 1 . . O
C6A 0.2880(3) 0.0036(3) 0.1917(2) 0.0531(18) Uani d . 1 . . C
H6AA 0.2719 -0.0357 0.1959 0.064 Uiso calc R 1 . . H
C7A 0.2752(3) 0.0129(2) 0.14955(19) 0.0411(14) Uani d . 1 . . C
C8A 0.2405(4) -0.0330(3) 0.1139(2) 0.068(2) Uani d . 1 . . C
H8AA 0.2257 -0.0731 0.1167 0.082 Uiso calc R 1 . . H
C9A 0.2277(5) -0.0208(3) 0.0751(2) 0.083(2) Uani d . 1 . . C
H9AA 0.2031 -0.0522 0.0504 0.099 Uiso calc R 1 . . H
C10A 0.2507(4) 0.0382(3) 0.0714(2) 0.064(2) Uani d . 1 . . C
H10A 0.2419 0.0458 0.0437 0.077 Uiso calc R 1 . . H
C11A 0.2971(3) 0.0715(2) 0.14363(17) 0.0316(13) Uani d . 1 . . C
C12A 0.3362(3) 0.1201(2) 0.17924(16) 0.0263(12) Uani d . 1 . . C
C13A 0.1177(3) 0.2024(2) 0.10258(15) 0.0236(11) Uani d . 1 . . C
C14A 0.1288(3) 0.25356(19) 0.13771(14) 0.0227(11) Uani d . 1 . . C
H14A 0.0811 0.2700 0.1460 0.027 Uiso calc R 1 . . H
C15A 0.2064(3) 0.28149(19) 0.16112(15) 0.0243(11) Uani d . 1 . . C
C16A 0.0331(3) 0.1757(2) 0.07730(15) 0.0238(11) Uani d . 1 . . C
C17A 0.0259(3) 0.1263(2) 0.04249(17) 0.0404(14) Uani d . 1 . . C
H17A 0.0729 0.1083 0.0361 0.048 Uiso calc R 1 . . H
C18A -0.0484(3) 0.1030(3) 0.01697(19) 0.0552(17) Uani d . 1 . . C
H18A -0.0523 0.0696 -0.0074 0.066 Uiso calc R 1 . . H
C19A -0.1178(3) 0.1284(3) 0.0270(2) 0.0574(18) Uani d . 1 . . C
H19A -0.1699 0.1116 0.0101 0.069 Uiso calc R 1 . . H
C20A -0.1113(3) 0.1776(2) 0.06129(17) 0.0394(14) Uani d . 1 . . C
H20A -0.1584 0.1955 0.0677 0.047 Uiso calc R 1 . . H
C21A -0.0368(3) 0.2012(2) 0.08640(16) 0.0288(12) Uani d . 1 . . C
H21A -0.0328 0.2352 0.1102 0.035 Uiso calc R 1 . . H
C22A 0.2113(3) 0.3337(2) 0.20004(15) 0.0245(11) Uani d . 1 . . C
C23A 0.1501(3) 0.3673(2) 0.20797(16) 0.0317(12) Uani d . 1 . . C
H23A 0.1007 0.3567 0.1888 0.038 Uiso calc R 1 . . H
C24A 0.1599(3) 0.4159(2) 0.24321(18) 0.0453(15) Uani d . 1 . . C
H24A 0.1177 0.4389 0.2480 0.054 Uiso calc R 1 . . H
C25A 0.2313(3) 0.4316(2) 0.27192(18) 0.0477(15) Uani d . 1 . . C
H25A 0.2383 0.4656 0.2960 0.057 Uiso calc R 1 . . H
C26A 0.2918(3) 0.3978(2) 0.26540(17) 0.0437(14) Uani d . 1 . . C
H26A 0.3396 0.4073 0.2856 0.052 Uiso calc R 1 . . H
C27A 0.2825(3) 0.3501(2) 0.22927(16) 0.0334(12) Uani d . 1 . . C
H27A 0.3256 0.3279 0.2242 0.040 Uiso calc R 1 . . H
C28A 0.5194(3) 0.2717(2) 0.13638(15) 0.0241(11) Uani d . 1 . . C
C29A 0.5572(3) 0.2231(2) 0.12391(15) 0.0265(11) Uani d . 1 . . C
H29A 0.6131 0.2272 0.1355 0.032 Uiso calc R 1 . . H
C30A 0.5181(3) 0.1682(2) 0.09526(15) 0.0238(11) Uani d . 1 . . C
C31A 0.5656(3) 0.3296(2) 0.16606(15) 0.0268(11) Uani d . 1 . . C
C32A 0.5191(3) 0.3700(2) 0.18843(17) 0.0364(13) Uani d . 1 . . C
H32A 0.4594 0.3602 0.1847 0.044 Uiso calc R 1 . . H
C33A 0.5595(3) 0.4238(2) 0.21576(18) 0.0411(14) Uani d . 1 . . C
H33A 0.5272 0.4508 0.2306 0.049 Uiso calc R 1 . . H
C34A 0.6455(3) 0.4390(2) 0.22185(16) 0.0410(14) Uani d . 1 . . C
H34A 0.6727 0.4759 0.2413 0.049 Uiso calc R 1 . . H
C35A 0.6925(3) 0.4005(2) 0.19965(16) 0.0378(13) Uani d . 1 . . C
H35A 0.7522 0.4115 0.2029 0.045 Uiso calc R 1 . . H
C36A 0.6527(3) 0.3458(2) 0.17268(15) 0.0310(12) Uani d . 1 . . C
H36A 0.6855 0.3189 0.1584 0.037 Uiso calc R 1 . . H
C37A 0.5656(3) 0.1192(2) 0.08087(15) 0.0269(12) Uani d . 1 . . C
C38A 0.6530(3) 0.1285(2) 0.08706(17) 0.0408(14) Uani d . 1 . . C
H38A 0.6852 0.1677 0.0995 0.049 Uiso calc R 1 . . H
C39A 0.6928(3) 0.0812(3) 0.07518(19) 0.0498(16) Uani d . 1 . . C
H39A 0.7522 0.0878 0.0802 0.060 Uiso calc R 1 . . H
C40A 0.6471(3) 0.0244(2) 0.05618(19) 0.0459(16) Uani d . 1 . . C
H40A 0.6747 -0.0082 0.0484 0.055 Uiso calc R 1 . . H
C41A 0.5614(3) 0.0149(2) 0.04843(19) 0.0492(16) Uani d . 1 . . C
H41A 0.5298 -0.0240 0.0344 0.059 Uiso calc R 1 . . H
C42A 0.5213(3) 0.0621(2) 0.06115(18) 0.0430(15) Uani d . 1 . . C
H42A 0.4619 0.0550 0.0562 0.052 Uiso calc R 1 . . H
C43A 0.2623(3) 0.1498(2) -0.01419(15) 0.0253(11) Uani d . 1 . . C
C44A 0.2748(3) 0.2081(2) -0.02053(15) 0.0265(12) Uani d . 1 . . C
H44A 0.2591 0.2119 -0.0486 0.032 Uiso calc R 1 . . H
C45A 0.3085(3) 0.2607(2) 0.01135(16) 0.0269(12) Uani d . 1 . . C
C46A 0.2271(3) 0.0992(2) -0.05216(16) 0.0300(12) Uani d . 1 . . C
C47A 0.1679(3) 0.0504(2) -0.04605(17) 0.0350(13) Uani d . 1 . . C
H47A 0.1529 0.0494 -0.0174 0.042 Uiso calc R 1 . . H
C48A 0.1309(3) 0.0039(3) -0.0807(2) 0.0517(17) Uani d . 1 . . C
H48A 0.0893 -0.0283 -0.0761 0.062 Uiso calc R 1 . . H
C49A 0.1545(4) 0.0041(3) -0.1228(2) 0.058(2) Uani d . 1 . . C
H49A 0.1293 -0.0280 -0.1468 0.069 Uiso calc R 1 . . H
C50A 0.2145(5) 0.0510(3) -0.1292(2) 0.066(2) Uani d . 1 . . C
H50A 0.2317 0.0509 -0.1576 0.079 Uiso calc R 1 . . H
C51A 0.2496(4) 0.0981(3) -0.09448(17) 0.0486(16) Uani d . 1 . . C
H51A 0.2901 0.1306 -0.0994 0.058 Uiso calc R 1 . . H
C52A 0.3171(3) 0.3197(2) 0.00003(15) 0.0268(11) Uani d . 1 . . C
C53A 0.2600(3) 0.3296(2) -0.02983(16) 0.0340(13) Uani d . 1 . . C
H53A 0.2144 0.2981 -0.0439 0.041 Uiso calc R 1 . . H
C54A 0.2698(3) 0.3853(2) -0.03883(17) 0.0396(14) Uani d . 1 . . C
H54A 0.2305 0.3918 -0.0589 0.048 Uiso calc R 1 . . H
C55A 0.3357(4) 0.4309(2) -0.01910(18) 0.0457(15) Uani d . 1 . . C
H55A 0.3421 0.4688 -0.0259 0.055 Uiso calc R 1 . . H
C56A 0.3932(3) 0.4225(2) 0.01071(18) 0.0434(14) Uani d . 1 . . C
H56A 0.4392 0.4540 0.0243 0.052 Uiso calc R 1 . . H
C57A 0.3818(3) 0.3670(2) 0.02022(16) 0.0324(12) Uani d . 1 . . C
H57A 0.4197 0.3612 0.0413 0.039 Uiso calc R 1 . . H
Eu1B 0.525070(14) 0.795351(10) 0.282171(8) 0.02258(6) Uani d . 1 . . Eu
N1B 0.5213(3) 0.7624(2) 0.35577(14) 0.0367(11) Uani d . 1 . . N
O1B 0.38108(18) 0.74812(13) 0.27441(10) 0.0285(8) Uani d . 1 . . O
C1B 0.5324(4) 0.8017(3) 0.39403(19) 0.0520(17) Uani d . 1 . . C
H1BA 0.5554 0.8425 0.3950 0.062 Uiso calc R 1 . . H
N2B 0.5067(2) 0.67969(17) 0.27876(13) 0.0281(10) Uani d . 1 . . N
O2B 0.44972(18) 0.85790(13) 0.32791(10) 0.0271(8) Uani d . 1 . . O
C2B 0.5121(4) 0.7868(3) 0.43374(19) 0.071(2) Uani d . 1 . . C
H2BA 0.5214 0.8168 0.4605 0.085 Uiso calc R 1 . . H
O3B 0.63095(18) 0.87132(14) 0.32574(11) 0.0358(9) Uani d . 1 . . O
C3B 0.4789(4) 0.7287(3) 0.4326(2) 0.072(2) Uani d . 1 . . C
H3BA 0.4646 0.7176 0.4588 0.086 Uiso calc R 1 . . H
O4B 0.65464(18) 0.76858(13) 0.27075(10) 0.0284(8) Uani d . 1 . . O
C4B 0.4654(4) 0.6844(3) 0.3927(2) 0.0512(17) Uani d . 1 . . C
O5B 0.49656(18) 0.74577(13) 0.20769(10) 0.0272(8) Uani d . 1 . . O
C5B 0.4338(4) 0.6227(3) 0.3896(2) 0.064(2) Uani d . 1 . . C
H5BA 0.4173 0.6102 0.4150 0.077 Uiso calc R 1 . . H
O6B 0.53264(19) 0.86780(13) 0.24122(11) 0.0316(8) Uani d . 1 . . O
C6B 0.4269(4) 0.5819(3) 0.3516(2) 0.062(2) Uani d . 1 . . C
H6BA 0.4054 0.5408 0.3505 0.074 Uiso calc R 1 . . H
C7B 0.4513(3) 0.5990(3) 0.3128(2) 0.0417(15) Uani d . 1 . . C
C8B 0.4502(3) 0.5579(3) 0.2722(2) 0.0525(17) Uani d . 1 . . C
H8BA 0.4292 0.5164 0.2695 0.063 Uiso calc R 1 . . H
C9B 0.4784(3) 0.5767(2) 0.2371(2) 0.0443(15) Uani d . 1 . . C
H9BA 0.4792 0.5489 0.2100 0.053 Uiso calc R 1 . . H
C10B 0.5065(3) 0.6387(2) 0.24178(17) 0.0320(12) Uani d . 1 . . C
H10B 0.5264 0.6519 0.2171 0.038 Uiso calc R 1 . . H
C11B 0.4819(3) 0.6601(2) 0.31453(18) 0.0311(13) Uani d . 1 . . C
C12B 0.4890(3) 0.7033(2) 0.35491(17) 0.0341(13) Uani d . 1 . . C
C13B 0.3157(3) 0.7543(2) 0.29410(15) 0.0236(11) Uani d . 1 . . C
C14B 0.3104(3) 0.8039(2) 0.32798(15) 0.0279(12) Uani d . 1 . . C
H14B 0.2585 0.8048 0.3409 0.033 Uiso calc R 1 . . H
C15B 0.3793(3) 0.8526(2) 0.34373(15) 0.0250(11) Uani d . 1 . . C
C16B 0.2409(3) 0.7021(2) 0.28146(15) 0.0237(11) Uani d . 1 . . C
C17B 0.2563(3) 0.6466(2) 0.26019(16) 0.0369(13) Uani d . 1 . . C
H17B 0.3116 0.6435 0.2525 0.044 Uiso calc R 1 . . H
C18B 0.1913(3) 0.5954(2) 0.25005(17) 0.0385(13) Uani d . 1 . . C
H18B 0.2026 0.5574 0.2366 0.046 Uiso calc R 1 . . H
C19B 0.1104(3) 0.6006(2) 0.25981(16) 0.0356(13) Uani d . 1 . . C
H19B 0.0657 0.5661 0.2526 0.043 Uiso calc R 1 . . H
C20B 0.0947(3) 0.6558(2) 0.28011(17) 0.0347(13) Uani d . 1 . . C
H20B 0.0391 0.6593 0.2867 0.042 Uiso calc R 1 . . H
C21B 0.1593(3) 0.7059(2) 0.29082(16) 0.0319(12) Uani d . 1 . . C
H21B 0.1477 0.7436 0.3049 0.038 Uiso calc R 1 . . H
C22B 0.3708(3) 0.9005(2) 0.38368(15) 0.0286(12) Uani d . 1 . . C
C23B 0.2954(3) 0.9105(2) 0.39934(17) 0.0379(13) Uani d . 1 . . C
H23B 0.2441 0.8869 0.3841 0.045 Uiso calc R 1 . . H
C24B 0.2930(4) 0.9545(3) 0.43696(19) 0.0534(17) Uani d . 1 . . C
H24B 0.2405 0.9603 0.4476 0.064 Uiso calc R 1 . . H
C25B 0.3674(4) 0.9899(3) 0.4591(2) 0.066(2) Uani d . 1 . . C
H25B 0.3664 1.0202 0.4848 0.079 Uiso calc R 1 . . H
C26B 0.4424(4) 0.9805(3) 0.44336(19) 0.0572(18) Uani d . 1 . . C
H26B 0.4935 1.0044 0.4585 0.069 Uiso calc R 1 . . H
C27B 0.4448(3) 0.9372(2) 0.40614(18) 0.0420(14) Uani d . 1 . . C
H27B 0.4976 0.9320 0.3955 0.050 Uiso calc R 1 . . H
C28B 0.7104(3) 0.8816(2) 0.33524(15) 0.0257(11) Uani d . 1 . . C
C29B 0.7604(3) 0.8410(2) 0.31782(16) 0.0283(12) Uani d . 1 . . C
H29B 0.8179 0.8505 0.3283 0.034 Uiso calc R 1 . . H
C30B 0.7312(3) 0.7873(2) 0.28578(15) 0.0246(11) Uani d . 1 . . C
C31B 0.7481(3) 0.9397(2) 0.36685(16) 0.0284(12) Uani d . 1 . . C
C32B 0.6949(3) 0.9736(3) 0.3892(2) 0.0559(17) Uani d . 1 . . C
H32B 0.6358 0.9593 0.3836 0.067 Uiso calc R 1 . . H
C33B 0.7253(3) 1.0272(3) 0.4190(2) 0.070(2) Uani d . 1 . . C
H33B 0.6873 1.0488 0.4345 0.084 Uiso calc R 1 . . H
C34B 0.8112(3) 1.0499(2) 0.42661(17) 0.0428(14) Uani d . 1 . . C
H34B 0.8324 1.0873 0.4469 0.051 Uiso calc R 1 . . H
C35B 0.8649(3) 1.0179(2) 0.40456(17) 0.0385(14) Uani d . 1 . . C
H35B 0.9239 1.0334 0.4094 0.046 Uiso calc R 1 . . H
C36B 0.8340(3) 0.9630(2) 0.37508(16) 0.0280(11) Uani d . 1 . . C
H36B 0.8723 0.9410 0.3603 0.034 Uiso calc R 1 . . H
C37B 0.7903(3) 0.7480(2) 0.26704(15) 0.0253(11) Uani d . 1 . . C
C38B 0.8775(3) 0.7679(2) 0.27225(16) 0.0310(12) Uani d . 1 . . C
H38B 0.9015 0.8079 0.2881 0.037 Uiso calc R 1 . . H
C39B 0.9293(3) 0.7296(2) 0.25443(17) 0.0381(14) Uani d . 1 . . C
H39B 0.9886 0.7436 0.2579 0.046 Uiso calc R 1 . . H
C40B 0.8954(3) 0.6717(2) 0.23188(17) 0.0424(15) Uani d . 1 . . C
H40B 0.9312 0.6456 0.2202 0.051 Uiso calc R 1 . . H
C41B 0.8082(3) 0.6511(2) 0.22608(16) 0.0365(13) Uani d . 1 . . C
H41B 0.7846 0.6111 0.2103 0.044 Uiso calc R 1 . . H
C42B 0.7563(3) 0.6893(2) 0.24347(15) 0.0300(12) Uani d . 1 . . C
H42B 0.6969 0.6755 0.2393 0.036 Uiso calc R 1 . . H
C43B 0.4827(3) 0.7588(2) 0.17190(15) 0.0243(11) Uani d . 1 . . C
C44B 0.4891(3) 0.8172(2) 0.16729(15) 0.0248(11) Uani d . 1 . . C
H44B 0.4753 0.8224 0.1394 0.030 Uiso calc R 1 . . H
C45B 0.5149(3) 0.8685(2) 0.20174(17) 0.0280(12) Uani d . 1 . . C
C46B 0.4563(3) 0.7069(2) 0.13299(16) 0.0264(12) Uani d . 1 . . C
C47B 0.4083(3) 0.6533(2) 0.13840(17) 0.0286(12) Uani d . 1 . . C
H47B 0.3920 0.6505 0.1665 0.034 Uiso calc R 1 . . H
C48B 0.3843(3) 0.6040(2) 0.10310(17) 0.0342(13) Uani d . 1 . . C
H48B 0.3506 0.5678 0.1070 0.041 Uiso calc R 1 . . H
C49B 0.4092(3) 0.6072(2) 0.06204(18) 0.0408(15) Uani d . 1 . . C
H49B 0.3936 0.5733 0.0379 0.049 Uiso calc R 1 . . H
C50B 0.4564(4) 0.6596(3) 0.05670(18) 0.0453(15) Uani d . 1 . . C
H50B 0.4731 0.6620 0.0286 0.054 Uiso calc R 1 . . H
C51B 0.4803(3) 0.7094(2) 0.09157(16) 0.0354(13) Uani d . 1 . . C
H51B 0.5133 0.7454 0.0872 0.043 Uiso calc R 1 . . H
C52B 0.5260(3) 0.9296(2) 0.19292(16) 0.0291(12) Uani d . 1 . . C
C53B 0.4774(3) 0.9404(2) 0.15993(17) 0.0413(14) Uani d . 1 . . C
H53B 0.4353 0.9088 0.1427 0.050 Uiso calc R 1 . . H
C54B 0.4905(3) 0.9971(2) 0.15236(18) 0.0444(15) Uani d . 1 . . C
H54B 0.4564 1.0046 0.1304 0.053 Uiso calc R 1 . . H
C55B 0.5523(4) 1.0423(3) 0.1765(2) 0.0558(17) Uani d . 1 . . C
H55B 0.5629 1.0806 0.1703 0.067 Uiso calc R 1 . . H
C56B 0.5992(4) 1.0324(3) 0.2098(2) 0.0628(19) Uani d . 1 . . C
H56B 0.6407 1.0643 0.2273 0.075 Uiso calc R 1 . . H
C57B 0.5859(3) 0.9763(2) 0.21780(18) 0.0448(15) Uani d . 1 . . C
H57B 0.6184 0.9697 0.2408 0.054 Uiso calc R 1 . . H
Eu1C 0.085752(14) 0.981108(10) 0.313545(8) 0.02201(6) Uani d . 1 . . Eu
N1C 0.0878(2) 1.01419(16) 0.23978(12) 0.0234(9) Uani d . 1 . . N
O1C -0.02441(18) 1.03143(13) 0.31958(10) 0.0262(8) Uani d . 1 . . O
C1C 0.0583(3) 0.9754(2) 0.20201(16) 0.0311(12) Uani d . 1 . . C
H1CA 0.0410 0.9343 0.2019 0.037 Uiso calc R 1 . . H
N2C 0.1495(2) 1.09514(16) 0.31647(13) 0.0259(9) Uani d . 1 . . N
O2C -0.03621(17) 0.91645(12) 0.27040(10) 0.0243(7) Uani d . 1 . . O
C2C 0.0509(3) 0.9911(2) 0.16242(17) 0.0413(14) Uani d . 1 . . C
H2CA 0.0268 0.9618 0.1367 0.050 Uiso calc R 1 . . H
O3C 0.09535(19) 1.02992(13) 0.38810(10) 0.0294(8) Uani d . 1 . . O
C3C 0.0795(3) 1.0501(2) 0.16174(18) 0.0424(14) Uani d . 1 . . C
H3CA 0.0765 1.0620 0.1352 0.051 Uiso calc R 1 . . H
O4C 0.0607(2) 0.90750(14) 0.35367(11) 0.0337(8) Uani d . 1 . . O
C4C 0.1127(3) 1.0922(2) 0.20035(17) 0.0329(13) Uani d . 1 . . C
O5C 0.13902(18) 0.90893(13) 0.26541(10) 0.0310(8) Uani d . 1 . . O
C5C 0.1450(3) 1.1544(2) 0.20237(19) 0.0415(14) Uani d . 1 . . C
H5CA 0.1445 1.1678 0.1764 0.050 Uiso calc R 1 . . H
O6C 0.23458(18) 1.00211(13) 0.32776(10) 0.0295(8) Uani d . 1 . . O
C6C 0.1757(3) 1.1935(2) 0.23987(19) 0.0448(15) Uani d . 1 . . C
H6CA 0.1974 1.2342 0.2400 0.054 Uiso calc R 1 . . H
C7C 0.1767(3) 1.1759(2) 0.27993(17) 0.0320(13) Uani d . 1 . . C
C8C 0.2083(3) 1.2156(2) 0.31979(18) 0.0374(13) Uani d . 1 . . C
H8CA 0.2285 1.2569 0.3212 0.045 Uiso calc R 1 . . H
C9C 0.2106(3) 1.1958(2) 0.35666(18) 0.0424(14) Uani d . 1 . . C
H9CA 0.2322 1.2228 0.3838 0.051 Uiso calc R 1 . . H
C10C 0.1803(3) 1.1342(2) 0.35379(18) 0.0352(13) Uani d . 1 . . C
H10C 0.1820 1.1203 0.3795 0.042 Uiso calc R 1 . . H
C11C 0.1471(3) 1.1150(2) 0.27964(15) 0.0226(11) Uani d . 1 . . C
C12C 0.1147(3) 1.0722(2) 0.23907(16) 0.0245(11) Uani d . 1 . . C
C13C -0.0952(3) 1.0270(2) 0.29930(15) 0.0236(11) Uani d . 1 . . C
C14C -0.1343(3) 0.9773(2) 0.26664(15) 0.0267(11) Uani d . 1 . . C
H14C -0.1847 0.9794 0.2518 0.032 Uiso calc R 1 . . H
C15C -0.1043(3) 0.9240(2) 0.25396(15) 0.0243(11) Uani d . 1 . . C
C16C -0.1353(3) 1.0800(2) 0.31338(15) 0.0250(11) Uani d . 1 . . C
C17C -0.0865(3) 1.1336(2) 0.33650(16) 0.0326(13) Uani d . 1 . . C
H17C -0.0290 1.1356 0.3442 0.039 Uiso calc R 1 . . H
C18C -0.1188(3) 1.1851(2) 0.34899(17) 0.0413(14) Uani d . 1 . . C
H18C -0.0839 1.2218 0.3650 0.050 Uiso calc R 1 . . H
C19C -0.2025(3) 1.1819(2) 0.33782(17) 0.0396(14) Uani d . 1 . . C
H19C -0.2251 1.2170 0.3456 0.048 Uiso calc R 1 . . H
C20C -0.2534(3) 1.1283(2) 0.31546(18) 0.0432(15) Uani d . 1 . . C
H20C -0.3110 1.1263 0.3081 0.052 Uiso calc R 1 . . H
C21C -0.2201(3) 1.0771(2) 0.30369(16) 0.0326(12) Uani d . 1 . . C
H21C -0.2555 1.0399 0.2890 0.039 Uiso calc R 1 . . H
C22C -0.1529(3) 0.8731(2) 0.21867(15) 0.0239(11) Uani d . 1 . . C
C23C -0.2405(3) 0.8622(2) 0.21159(16) 0.0284(12) Uani d . 1 . . C
H23C -0.2707 0.8885 0.2290 0.034 Uiso calc R 1 . . H
C24C -0.2833(3) 0.8140(2) 0.17987(16) 0.0347(13) Uani d . 1 . . C
H24C -0.3429 0.8070 0.1759 0.042 Uiso calc R 1 . . H
C25C -0.2405(3) 0.7754(2) 0.15355(17) 0.0357(13) Uani d . 1 . . C
H25C -0.2701 0.7425 0.1312 0.043 Uiso calc R 1 . . H
C26C -0.1536(3) 0.7858(2) 0.16053(16) 0.0351(13) Uani d . 1 . . C
H26C -0.1236 0.7595 0.1429 0.042 Uiso calc R 1 . . H
C27C -0.1101(3) 0.8337(2) 0.19275(16) 0.0290(12) Uani d . 1 . . C
H27C -0.0507 0.8399 0.1973 0.035 Uiso calc R 1 . . H
C28C 0.0913(3) 1.0160(2) 0.42461(16) 0.0261(11) Uani d . 1 . . C
C29C 0.0735(3) 0.9566(2) 0.42849(17) 0.0327(13) Uani d . 1 . . C
H29C 0.0683 0.9502 0.4569 0.039 Uiso calc R 1 . . H
C30C 0.0631(3) 0.9065(2) 0.39343(17) 0.0279(12) Uani d . 1 . . C
C31C 0.1054(3) 1.0672(2) 0.46442(16) 0.0275(12) Uani d . 1 . . C
C32C 0.0840(3) 1.1207(2) 0.46206(17) 0.0313(12) Uani d . 1 . . C
H32C 0.0602 1.1241 0.4353 0.038 Uiso calc R 1 . . H
C33C 0.0967(3) 1.1689(2) 0.49805(18) 0.0404(14) Uani d . 1 . . C
H33C 0.0805 1.2049 0.4961 0.048 Uiso calc R 1 . . H
C34C 0.1325(3) 1.1651(2) 0.53655(18) 0.0445(14) Uani d . 1 . . C
H34C 0.1417 1.1985 0.5612 0.053 Uiso calc R 1 . . H
C35C 0.1553(4) 1.1124(2) 0.53941(18) 0.0519(17) Uani d . 1 . . C
H35C 0.1806 1.1097 0.5660 0.062 Uiso calc R 1 . . H
C36C 0.1413(3) 1.0637(2) 0.50376(17) 0.0424(15) Uani d . 1 . . C
H36C 0.1564 1.0275 0.5061 0.051 Uiso calc R 1 . . H
C37C 0.0511(3) 0.8450(2) 0.40270(16) 0.0291(12) Uani d . 1 . . C
C38C 0.0817(3) 0.8371(2) 0.44179(18) 0.0396(14) Uani d . 1 . . C
H38C 0.1114 0.8706 0.4636 0.048 Uiso calc R 1 . . H
C39C 0.0686(4) 0.7797(3) 0.4488(2) 0.0513(17) Uani d . 1 . . C
H39C 0.0900 0.7742 0.4753 0.062 Uiso calc R 1 . . H
C40C 0.0253(4) 0.7316(3) 0.4178(2) 0.0526(17) Uani d . 1 . . C
H40C 0.0157 0.6928 0.4232 0.063 Uiso calc R 1 . . H
C41C -0.0052(4) 0.7386(2) 0.3782(2) 0.0557(17) Uani d . 1 . . C
H41C -0.0354 0.7051 0.3565 0.067 Uiso calc R 1 . . H
C42C 0.0097(3) 0.7956(2) 0.37113(18) 0.0420(14) Uani d . 1 . . C
H42C -0.0091 0.8007 0.3440 0.050 Uiso calc R 1 . . H
C43C 0.2089(3) 0.89292(19) 0.25909(14) 0.0227(11) Uani d . 1 . . C
C44C 0.2863(3) 0.9254(2) 0.28051(15) 0.0270(12) Uani d . 1 . . C
H44C 0.3352 0.9102 0.2729 0.032 Uiso calc R 1 . . H
C45C 0.2953(3) 0.9793(2) 0.31265(16) 0.0264(12) Uani d . 1 . . C
C46C 0.2037(3) 0.83501(19) 0.22510(15) 0.0225(11) Uani d . 1 . . C
C47C 0.1241(3) 0.7988(2) 0.21136(16) 0.0298(12) Uani d . 1 . . C
H47C 0.0758 0.8122 0.2226 0.036 Uiso calc R 1 . . H
C48C 0.1142(3) 0.7439(2) 0.18157(17) 0.0401(14) Uani d . 1 . . C
H48C 0.0595 0.7195 0.1730 0.048 Uiso calc R 1 . . H
C49C 0.1832(3) 0.7243(2) 0.16434(18) 0.0399(14) Uani d . 1 . . C
H49C 0.1768 0.6867 0.1437 0.048 Uiso calc R 1 . . H
C50C 0.2616(3) 0.7604(2) 0.17762(19) 0.0502(16) Uani d . 1 . . C
H50C 0.3098 0.7474 0.1659 0.060 Uiso calc R 1 . . H
C51C 0.2718(3) 0.8151(2) 0.20757(18) 0.0430(15) Uani d . 1 . . C
H51C 0.3267 0.8392 0.2161 0.052 Uiso calc R 1 . . H
C52C 0.3825(3) 1.0145(2) 0.33054(17) 0.0330(12) Uani d . 1 . . C
C53C 0.4555(3) 0.9969(2) 0.31458(17) 0.0398(14) Uani d . 1 . . C
H53C 0.4515 0.9618 0.2917 0.048 Uiso calc R 1 . . H
C54C 0.5336(4) 1.0315(3) 0.3327(2) 0.0640(19) Uani d . 1 . . C
H54C 0.5832 1.0194 0.3221 0.077 Uiso calc R 1 . . H
C55C 0.5405(4) 1.0814(4) 0.3645(3) 0.107(3) Uani d . 1 . . C
H55C 0.5947 1.1046 0.3759 0.128 Uiso calc R 1 . . H
C56C 0.4700(4) 1.0994(4) 0.3810(3) 0.129(4) Uani d . 1 . . C
H56C 0.4753 1.1348 0.4039 0.154 Uiso calc R 1 . . H
C57C 0.3903(4) 1.0651(3) 0.3637(2) 0.077(2) Uani d . 1 . . C
H57C 0.3412 1.0770 0.3752 0.092 Uiso calc R 1 . . H
Eu1D 0.881803(13) 0.375269(10) 0.102572(8) 0.02022(6) Uani d . 1 . . Eu
N1D 0.8563(2) 0.40877(16) 0.03042(12) 0.0230(9) Uani d . 1 . . N
O1D 0.77125(17) 0.42592(13) 0.11299(10) 0.0252(8) Uani d . 1 . . O
C1D 0.8133(3) 0.3713(2) -0.00452(15) 0.0277(12) Uani d . 1 . . C
H1DA 0.7934 0.3308 -0.0036 0.033 Uiso calc R 1 . . H
N2D 0.9458(2) 0.48708(16) 0.10262(12) 0.0239(9) Uani d . 1 . . N
O2D 0.75687(17) 0.30657(13) 0.07187(10) 0.0262(8) Uani d . 1 . . O
C2D 0.7953(3) 0.3874(2) -0.04271(15) 0.0290(12) Uani d . 1 . . C
H2DA 0.7638 0.3586 -0.0670 0.035 Uiso calc R 1 . . H
O3D 0.90495(18) 0.42719(13) 0.17743(10) 0.0251(8) Uani d . 1 . . O
C3D 0.8242(3) 0.4459(2) -0.04447(16) 0.0345(13) Uani d . 1 . . C
H3DA 0.8128 0.4580 -0.0701 0.041 Uiso calc R 1 . . H
O4D 0.87489(19) 0.30425(13) 0.14427(10) 0.0270(8) Uani d . 1 . . O
C4D 0.8704(3) 0.4875(2) -0.00835(16) 0.0304(12) Uani d . 1 . . C
O5D 0.92685(18) 0.30968(13) 0.04369(10) 0.0259(8) Uani d . 1 . . O
C5D 0.9024(3) 0.5489(2) -0.00768(18) 0.0380(14) Uani d . 1 . . C
H5DA 0.8924 0.5628 -0.0327 0.046 Uiso calc R 1 . . H
O6D 1.03012(18) 0.38948(13) 0.11197(10) 0.0279(8) Uani d . 1 . . O
C6D 0.9466(3) 0.5878(2) 0.02784(18) 0.0374(14) Uani d . 1 . . C
H6DA 0.9678 0.6283 0.0273 0.045 Uiso calc R 1 . . H
C7D 0.9621(3) 0.5687(2) 0.06643(17) 0.0310(12) Uani d . 1 . . C
C8D 1.0083(3) 0.6074(2) 0.10393(17) 0.0357(13) Uani d . 1 . . C
H8DA 1.0297 0.6484 0.1048 0.043 Uiso calc R 1 . . H
C9D 1.0227(3) 0.5858(2) 0.13946(17) 0.0331(12) Uani d . 1 . . C
H9DA 1.0537 0.6115 0.1651 0.040 Uiso calc R 1 . . H
C10D 0.9908(3) 0.5251(2) 0.13699(16) 0.0273(11) Uani d . 1 . . C
H10D 1.0020 0.5103 0.1614 0.033 Uiso calc R 1 . . H
C11D 0.9322(3) 0.5083(2) 0.06689(15) 0.0225(11) Uani d . 1 . . C
C12D 0.8850(3) 0.4667(2) 0.02909(16) 0.0262(11) Uani d . 1 . . C
C13D 0.6962(3) 0.4169(2) 0.09630(15) 0.0234(11) Uani d . 1 . . C
C14D 0.6534(3) 0.3636(2) 0.06815(15) 0.0247(11) Uani d . 1 . . C
H14D 0.5996 0.3628 0.0554 0.030 Uiso calc R 1 . . H
C15D 0.6845(3) 0.3108(2) 0.05739(15) 0.0249(11) Uani d . 1 . . C
C16D 0.6555(3) 0.4700(2) 0.10732(15) 0.0257(11) Uani d . 1 . . C
C17D 0.7057(3) 0.5268(2) 0.12296(15) 0.0284(12) Uani d . 1 . . C
H17D 0.7649 0.5312 0.1271 0.034 Uiso calc R 1 . . H
C18D 0.6711(3) 0.5773(2) 0.13265(15) 0.0333(13) Uani d . 1 . . C
H18D 0.7067 0.6158 0.1432 0.040 Uiso calc R 1 . . H
C19D 0.5854(3) 0.5716(2) 0.12706(16) 0.0348(13) Uani d . 1 . . C
H19D 0.5616 0.6062 0.1332 0.042 Uiso calc R 1 . . H
C20D 0.5347(3) 0.5151(2) 0.11244(17) 0.0369(13) Uani d . 1 . . C
H20D 0.4754 0.5108 0.1090 0.044 Uiso calc R 1 . . H
C21D 0.5688(3) 0.4649(2) 0.10284(15) 0.0305(12) Uani d . 1 . . C
H21D 0.5329 0.4264 0.0931 0.037 Uiso calc R 1 . . H
C22D 0.6344(3) 0.2560(2) 0.02562(15) 0.0250(11) Uani d . 1 . . C
C23D 0.5471(3) 0.2440(2) 0.01873(16) 0.0274(11) Uani d . 1 . . C
H23D 0.5166 0.2710 0.0352 0.033 Uiso calc R 1 . . H
C24D 0.5042(3) 0.1937(2) -0.01152(17) 0.0368(13) Uani d . 1 . . C
H24D 0.4445 0.1855 -0.0150 0.044 Uiso calc R 1 . . H
C25D 0.5484(3) 0.1548(2) -0.03701(18) 0.0428(14) Uani d . 1 . . C
H25D 0.5194 0.1212 -0.0589 0.051 Uiso calc R 1 . . H
C26D 0.6342(4) 0.1658(2) -0.03004(17) 0.0436(14) Uani d . 1 . . C
H26D 0.6642 0.1387 -0.0468 0.052 Uiso calc R 1 . . H
C27D 0.6778(3) 0.2151(2) 0.00078(16) 0.0355(13) Uani d . 1 . . C
H27D 0.7372 0.2216 0.0053 0.043 Uiso calc R 1 . . H
C28D 0.9178(2) 0.41447(19) 0.21343(15) 0.0203(10) Uani d . 1 . . C
C29D 0.9206(3) 0.3566(2) 0.21759(15) 0.0249(11) Uani d . 1 . . C
H29D 0.9386 0.3522 0.2451 0.030 Uiso calc R 1 . . H
C30D 0.8983(3) 0.30554(19) 0.18333(15) 0.0213(10) Uani d . 1 . . C
C31D 0.9244(3) 0.46419(19) 0.25426(14) 0.0206(10) Uani d . 1 . . C
C32D 0.8855(3) 0.51173(19) 0.25262(16) 0.0251(11) Uani d . 1 . . C
H32D 0.8590 0.5132 0.2259 0.030 Uiso calc R 1 . . H
C33D 0.8857(3) 0.5564(2) 0.28979(16) 0.0307(12) Uani d . 1 . . C
H33D 0.8572 0.5877 0.2887 0.037 Uiso calc R 1 . . H
C34D 0.9262(3) 0.5566(2) 0.32819(16) 0.0343(12) Uani d . 1 . . C
H34D 0.9264 0.5881 0.3534 0.041 Uiso calc R 1 . . H
C35D 0.9671(3) 0.5106(2) 0.33023(16) 0.0355(13) Uani d . 1 . . C
H35D 0.9958 0.5106 0.3567 0.043 Uiso calc R 1 . . H
C36D 0.9653(3) 0.4650(2) 0.29323(15) 0.0277(12) Uani d . 1 . . C
H36D 0.9929 0.4334 0.2946 0.033 Uiso calc R 1 . . H
C37D 0.8946(3) 0.2453(2) 0.19293(14) 0.0240(11) Uani d . 1 . . C
C38D 0.9542(3) 0.2363(2) 0.22199(14) 0.0312(12) Uani d . 1 . . C
H38D 1.0005 0.2679 0.2350 0.037 Uiso calc R 1 . . H
C39D 0.9448(3) 0.1810(2) 0.23162(16) 0.0383(14) Uani d . 1 . . C
H39D 0.9855 0.1747 0.2511 0.046 Uiso calc R 1 . . H
C40D 0.8787(4) 0.1357(2) 0.21383(18) 0.0497(16) Uani d . 1 . . C
H40D 0.8726 0.0986 0.2216 0.060 Uiso calc R 1 . . H
C41D 0.8193(3) 0.1430(2) 0.18417(18) 0.0455(15) Uani d . 1 . . C
H41D 0.7735 0.1110 0.1712 0.055 Uiso calc R 1 . . H
C42D 0.8288(3) 0.1984(2) 0.17400(16) 0.0353(13) Uani d . 1 . . C
H42D 0.7892 0.2039 0.1536 0.042 Uiso calc R 1 . . H
C43D 0.9959(3) 0.2980(2) 0.02983(15) 0.0230(11) Uani d . 1 . . C
C44D 1.0754(3) 0.32613(19) 0.05106(14) 0.0221(11) Uani d . 1 . . C
H44D 1.1234 0.3147 0.0380 0.027 Uiso calc R 1 . . H
C45D 1.0882(3) 0.3701(2) 0.09038(15) 0.0227(11) Uani d . 1 . . C
C46D 0.9892(3) 0.25290(19) -0.01317(14) 0.0227(11) Uani d . 1 . . C
C47D 0.9177(3) 0.2422(2) -0.04176(15) 0.0310(12) Uani d . 1 . . C
H47D 0.8737 0.2624 -0.0328 0.037 Uiso calc R 1 . . H
C48D 0.9090(3) 0.2032(2) -0.08240(17) 0.0393(14) Uani d . 1 . . C
H48D 0.8599 0.1970 -0.1012 0.047 Uiso calc R 1 . . H
C49D 0.9728(3) 0.1730(2) -0.09565(17) 0.0413(14) Uani d . 1 . . C
H49D 0.9681 0.1465 -0.1238 0.050 Uiso calc R 1 . . H
C50D 1.0432(3) 0.1819(2) -0.06751(17) 0.0387(14) Uani d . 1 . . C
H50D 1.0861 0.1605 -0.0762 0.046 Uiso calc R 1 . . H
C51D 1.0516(3) 0.2215(2) -0.02697(16) 0.0305(12) Uani d . 1 . . C
H51D 1.1008 0.2275 -0.0082 0.037 Uiso calc R 1 . . H
C52D 1.1764(3) 0.3990(2) 0.10948(14) 0.0231(11) Uani d . 1 . . C
C53D 1.2427(3) 0.3691(2) 0.10180(14) 0.0225(10) Uani d . 1 . . C
H53D 1.2331 0.3309 0.0817 0.027 Uiso calc R 1 . . H
C54D 1.3217(3) 0.3938(2) 0.12284(16) 0.0308(12) Uani d . 1 . . C
H54D 1.3655 0.3722 0.1178 0.037 Uiso calc R 1 . . H
C55D 1.3369(3) 0.4501(2) 0.15119(17) 0.0380(13) Uani d . 1 . . C
H55D 1.3910 0.4669 0.1660 0.046 Uiso calc R 1 . . H
C56D 1.2737(3) 0.4820(2) 0.15821(17) 0.0359(13) Uani d . 1 . . C
H56D 1.2852 0.5215 0.1766 0.043 Uiso calc R 1 . . H
C57D 1.1931(3) 0.4562(2) 0.13831(16) 0.0317(12) Uani d . 1 . . C
H57D 1.1492 0.4775 0.1443 0.038 Uiso calc R 1 . . H
Eu1E 0.286909(14) 0.575887(11) 0.533437(8) 0.02480(6) Uani d . 1 . . Eu
N1E 0.2412(2) 0.58925(17) 0.45699(13) 0.0291(10) Uani d . 1 . . N
O1E 0.16674(18) 0.59698(13) 0.56892(10) 0.0274(8) Uani d . 1 . . O
C1E 0.2175(3) 0.5430(2) 0.42302(16) 0.0335(12) Uani d . 1 . . C
H1EA 0.2136 0.5040 0.4274 0.040 Uiso calc R 1 . . H
N2E 0.2790(2) 0.68469(17) 0.52705(13) 0.0285(10) Uani d . 1 . . N
O2E 0.17161(19) 0.49528(14) 0.50503(10) 0.0309(8) Uani d . 1 . . O
C2E 0.1975(3) 0.5478(2) 0.38072(16) 0.0402(14) Uani d . 1 . . C
H2EA 0.1779 0.5131 0.3576 0.048 Uiso calc R 1 . . H
O3E 0.33862(19) 0.63243(14) 0.60377(11) 0.0315(8) Uani d . 1 . . O
C3E 0.2071(3) 0.6035(3) 0.37386(18) 0.0452(15) Uani d . 1 . . C
H3EA 0.1958 0.6080 0.3454 0.054 Uiso calc R 1 . . H
O4E 0.2982(2) 0.50864(14) 0.57594(11) 0.0330(8) Uani d . 1 . . O
C4E 0.2336(3) 0.6542(3) 0.40835(17) 0.0394(14) Uani d . 1 . . C
O5E 0.3486(2) 0.50988(13) 0.48374(11) 0.0328(8) Uani d . 1 . . O
C5E 0.2481(4) 0.7143(3) 0.4034(2) 0.0574(18) Uani d . 1 . . C
H5EA 0.2419 0.7208 0.3751 0.069 Uiso calc R 1 . . H
O6E 0.42175(19) 0.62523(14) 0.52243(11) 0.0362(9) Uani d . 1 . . O
C6E 0.2701(4) 0.7612(3) 0.4376(2) 0.0540(17) Uani d . 1 . . C
H6EA 0.2802 0.8005 0.4330 0.065 Uiso calc R 1 . . H
C7E 0.2790(3) 0.7545(2) 0.48103(19) 0.0410(14) Uani d . 1 . . C
C8E 0.2935(4) 0.8012(3) 0.5183(2) 0.0540(17) Uani d . 1 . . C
H8EA 0.2996 0.8412 0.5158 0.065 Uiso calc R 1 . . H
C9E 0.2989(4) 0.7905(2) 0.5586(2) 0.0544(17) Uani d . 1 . . C
H9EA 0.3069 0.8224 0.5842 0.065 Uiso calc R 1 . . H
C10E 0.2925(3) 0.7313(2) 0.56114(17) 0.0406(14) Uani d . 1 . . C
H10E 0.2981 0.7241 0.5892 0.049 Uiso calc R 1 . . H
C11E 0.2705(3) 0.6951(2) 0.48693(16) 0.0309(12) Uani d . 1 . . C
C12E 0.2491(3) 0.6450(2) 0.45013(16) 0.0311(12) Uani d . 1 . . C
C13E 0.0969(3) 0.5665(2) 0.57503(15) 0.0255(11) Uani d . 1 . . C
C14E 0.0653(3) 0.5057(2) 0.55414(14) 0.0259(11) Uani d . 1 . . C
H14E 0.0148 0.4857 0.5633 0.031 Uiso calc R 1 . . H
C15E 0.1043(3) 0.4732(2) 0.52066(15) 0.0244(11) Uani d . 1 . . C
C16E 0.0459(3) 0.5990(2) 0.60772(15) 0.0237(11) Uani d . 1 . . C
C17E 0.0880(3) 0.6468(2) 0.64098(15) 0.0298(12) Uani d . 1 . . C
H17E 0.1476 0.6578 0.6427 0.036 Uiso calc R 1 . . H
C18E 0.0437(3) 0.6787(2) 0.67174(16) 0.0357(13) Uani d . 1 . . C
H18E 0.0730 0.7108 0.6947 0.043 Uiso calc R 1 . . H
C19E -0.0437(3) 0.6631(2) 0.66857(16) 0.0345(13) Uani d . 1 . . C
H19E -0.0745 0.6848 0.6893 0.041 Uiso calc R 1 . . H
C20E -0.0859(3) 0.6160(2) 0.63524(16) 0.0344(13) Uani d . 1 . . C
H20E -0.1456 0.6055 0.6330 0.041 Uiso calc R 1 . . H
C21E -0.0413(3) 0.5840(2) 0.60510(15) 0.0296(12) Uani d . 1 . . C
H21E -0.0707 0.5515 0.5824 0.036 Uiso calc R 1 . . H
C22E 0.0681(3) 0.4080(2) 0.50107(14) 0.0243(11) Uani d . 1 . . C
C23E -0.0171(3) 0.3829(2) 0.49832(15) 0.0286(12) Uani d . 1 . . C
H23E -0.0550 0.4067 0.5112 0.034 Uiso calc R 1 . . H
C24E -0.0475(3) 0.3231(2) 0.47680(16) 0.0339(13) Uani d . 1 . . C
H24E -0.1062 0.3065 0.4747 0.041 Uiso calc R 1 . . H
C25E 0.0067(3) 0.2873(2) 0.45846(16) 0.0336(13) Uani d . 1 . . C
H25E -0.0143 0.2463 0.4440 0.040 Uiso calc R 1 . . H
C26E 0.0926(3) 0.3123(2) 0.46150(16) 0.0349(13) Uani d . 1 . . C
H26E 0.1306 0.2883 0.4492 0.042 Uiso calc R 1 . . H
C27E 0.1224(3) 0.3716(2) 0.48223(16) 0.0308(12) Uani d . 1 . . C
H27E 0.1810 0.3882 0.4838 0.037 Uiso calc R 1 . . H
C28E 0.3273(3) 0.6229(2) 0.64115(16) 0.0284(12) Uani d . 1 . . C
C29E 0.3083(3) 0.5653(2) 0.64913(16) 0.0311(12) Uani d . 1 . . C
H29E 0.3015 0.5625 0.6783 0.037 Uiso calc R 1 . . H
C30E 0.2991(3) 0.5120(2) 0.61633(17) 0.0312(12) Uani d . 1 . . C
C31E 0.3364(3) 0.6770(2) 0.67833(17) 0.0349(13) Uani d . 1 . . C
C32E 0.3882(3) 0.7308(2) 0.67442(18) 0.0386(14) Uani d . 1 . . C
H32E 0.4182 0.7318 0.6492 0.046 Uiso calc R 1 . . H
C33E 0.3950(3) 0.7825(2) 0.7077(2) 0.0516(18) Uani d . 1 . . C
H33E 0.4292 0.8191 0.7051 0.062 Uiso calc R 1 . . H
C34E 0.3522(4) 0.7809(3) 0.7447(2) 0.059(2) Uani d . 1 . . C
H34E 0.3581 0.8161 0.7677 0.071 Uiso calc R 1 . . H
C35E 0.3007(4) 0.7280(3) 0.7481(2) 0.064(2) Uani d . 1 . . C
H35E 0.2699 0.7271 0.7731 0.077 Uiso calc R 1 . . H
C36E 0.2941(4) 0.6765(2) 0.71538(18) 0.0464(15) Uani d . 1 . . C
H36E 0.2599 0.6401 0.7184 0.056 Uiso calc R 1 . . H
C37E 0.2908(3) 0.4540(2) 0.62956(16) 0.0292(12) Uani d . 1 . . C
C38E 0.3341(3) 0.4486(2) 0.66610(17) 0.0362(13) Uani d . 1 . . C
H38E 0.3706 0.4827 0.6844 0.043 Uiso calc R 1 . . H
C39E 0.3241(3) 0.3929(3) 0.67592(19) 0.0473(16) Uani d . 1 . . C
H39E 0.3545 0.3893 0.7008 0.057 Uiso calc R 1 . . H
C40E 0.2710(4) 0.3435(3) 0.6501(2) 0.0582(18) Uani d . 1 . . C
H40E 0.2632 0.3060 0.6576 0.070 Uiso calc R 1 . . H
C41E 0.2285(4) 0.3482(2) 0.61297(19) 0.0528(16) Uani d . 1 . . C
H41E 0.1920 0.3138 0.5948 0.063 Uiso calc R 1 . . H
C42E 0.2392(3) 0.4030(2) 0.60232(17) 0.0400(14) Uani d . 1 . . C
H42E 0.2114 0.4058 0.5764 0.048 Uiso calc R 1 . . H
C43E 0.4155(3) 0.5100(2) 0.46336(16) 0.0286(12) Uani d . 1 . . C
C44E 0.4856(3) 0.5582(2) 0.47358(16) 0.0306(12) Uani d . 1 . . C
H44E 0.5358 0.5530 0.4599 0.037 Uiso calc R 1 . . H
C45E 0.4859(3) 0.6132(2) 0.50259(16) 0.0282(12) Uani d . 1 . . C
C46E 0.4140(3) 0.4558(2) 0.42720(16) 0.0294(12) Uani d . 1 . . C
C47E 0.3448(4) 0.4093(2) 0.42167(19) 0.0536(16) Uani d . 1 . . C
H47E 0.3022 0.4124 0.4415 0.064 Uiso calc R 1 . . H
C48E 0.3360(5) 0.3587(3) 0.3883(2) 0.071(2) Uani d . 1 . . C
H48E 0.2873 0.3274 0.3848 0.085 Uiso calc R 1 . . H
C49E 0.3982(4) 0.3533(3) 0.3598(2) 0.0568(18) Uani d . 1 . . C
H49E 0.3932 0.3179 0.3370 0.068 Uiso calc R 1 . . H
C50E 0.4673(4) 0.3993(3) 0.3646(2) 0.069(2) Uani d . 1 . . C
H50E 0.5100 0.3961 0.3448 0.083 Uiso calc R 1 . . H
C51E 0.4748(3) 0.4500(3) 0.39814(19) 0.0529(17) Uani d . 1 . . C
H51E 0.5229 0.4816 0.4012 0.063 Uiso calc R 1 . . H
C52E 0.5608(3) 0.6642(2) 0.51030(16) 0.0286(12) Uani d . 1 . . C
C53E 0.5573(3) 0.7165(2) 0.54136(18) 0.0447(15) Uani d . 1 . . C
H53E 0.5096 0.7181 0.5579 0.054 Uiso calc R 1 . . H
C54E 0.6226(3) 0.7660(3) 0.5483(2) 0.0577(18) Uani d . 1 . . C
H54E 0.6190 0.8016 0.5692 0.069 Uiso calc R 1 . . H
C55E 0.6928(3) 0.7644(3) 0.5254(2) 0.0555(17) Uani d . 1 . . C
H55E 0.7377 0.7985 0.5306 0.067 Uiso calc R 1 . . H
C56E 0.6975(3) 0.7134(3) 0.49520(19) 0.0536(17) Uani d . 1 . . C
H56E 0.7457 0.7122 0.4790 0.064 Uiso calc R 1 . . H
C57E 0.6324(3) 0.6630(2) 0.48781(17) 0.0417(14) Uani d . 1 . . C
H57F 0.6371 0.6274 0.4671 0.050 Uiso calc R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O4A Eu1A O3A 71.83(10) y
O4A Eu1A O1A 145.26(11) y
O3A Eu1A O1A 142.83(10) y
O4A Eu1A O6A 102.09(10) y
O3A Eu1A O6A 75.14(10) y
O1A Eu1A O6A 92.87(10) y
O4A Eu1A O2A 139.52(10) y
O3A Eu1A O2A 74.83(10) y
O1A Eu1A O2A 70.21(10) y
O6A Eu1A O2A 90.76(10) y
O4A Eu1A O5A 81.57(10) y
O3A Eu1A O5A 131.45(11) y
O1A Eu1A O5A 73.60(10) y
O6A Eu1A O5A 71.68(11) y
O2A Eu1A O5A 138.69(9) y
O4A Eu1A N1A 79.84(11) y
O3A Eu1A N1A 76.26(11) y
O1A Eu1A N1A 102.90(11) y
O6A Eu1A N1A 149.03(12) y
O2A Eu1A N1A 70.40(10) y
O5A Eu1A N1A 138.23(11) y
O4A Eu1A N2A 73.72(11) y
O3A Eu1A N2A 129.17(10) y
O1A Eu1A N2A 77.34(11) y
O6A Eu1A N2A 148.95(12) y
O2A Eu1A N2A 112.64(12) y
O5A Eu1A N2A 77.29(12) y
N1A Eu1A N2A 61.69(12) y
C1A N1A C12A 117.7(4) ?
C1A N1A Eu1A 121.0(3) ?
C12A N1A Eu1A 121.1(3) ?
C13A O1A Eu1A 137.8(3) y
N1A C1A C2A 123.2(5) ?
N1A C1A H1AA 118.4 ?
C2A C1A H1AA 118.4 ?
C10A N2A C11A 117.3(4) ?
C10A N2A Eu1A 122.2(3) ?
C11A N2A Eu1A 120.5(3) ?
C15A O2A Eu1A 137.9(3) y
C3A C2A C1A 119.1(5) ?
C3A C2A H2AA 120.4 ?
C1A C2A H2AA 120.4 ?
C28A O3A Eu1A 135.3(3) y
C2A C3A C4A 119.3(5) ?
C2A C3A H3AA 120.4 ?
C4A C3A H3AA 120.4 ?
C30A O4A Eu1A 136.8(3) y
C3A C4A C12A 118.5(5) ?
C3A C4A C5A 122.7(5) ?
C12A C4A C5A 118.8(5) ?
C43A O5A Eu1A 135.9(3) y
C6A C5A C4A 121.3(5) ?
C6A C5A H5AA 119.3 ?
C4A C5A H5AA 119.3 ?
C45A O6A Eu1A 137.4(3) y
C5A C6A C7A 121.3(5) ?
C5A C6A H6AA 119.4 ?
C7A C6A H6AA 119.4 ?
C8A C7A C11A 117.9(5) ?
C8A C7A C6A 122.9(5) ?
C11A C7A C6A 119.3(5) ?
C9A C8A C7A 119.8(6) ?
C9A C8A H8AA 120.1 ?
C7A C8A H8AA 120.1 ?
C8A C9A C10A 119.5(6) ?
C8A C9A H9AA 120.3 ?
C10A C9A H9AA 120.3 ?
N2A C10A C9A 123.5(6) ?
N2A C10A H10A 118.2 ?
C9A C10A H10A 118.2 ?
N2A C11A C7A 122.0(5) ?
N2A C11A C12A 118.2(4) ?
C7A C11A C12A 119.8(4) ?
N1A C12A C4A 122.2(5) ?
N1A C12A C11A 118.4(4) ?
C4A C12A C11A 119.5(4) ?
O1A C13A C14A 123.9(4) y
O1A C13A C16A 115.0(4) y
C14A C13A C16A 121.1(4) y
C15A C14A C13A 123.5(4) y
C15A C14A H14A 118.3 ?
C13A C14A H14A 118.3 ?
O2A C15A C14A 123.7(4) y
O2A C15A C22A 116.5(4) y
C14A C15A C22A 119.8(4) y
C17A C16A C21A 118.8(4) ?
C17A C16A C13A 118.9(4) ?
C21A C16A C13A 122.3(4) ?
C18A C17A C16A 120.7(5) ?
C18A C17A H17A 119.6 ?
C16A C17A H17A 119.6 ?
C17A C18A C19A 119.6(5) ?
C17A C18A H18A 120.2 ?
C19A C18A H18A 120.2 ?
C20A C19A C18A 120.1(5) ?
C20A C19A H19A 120.0 ?
C18A C19A H19A 120.0 ?
C19A C20A C21A 120.1(5) ?
C19A C20A H20A 120.0 ?
C21A C20A H20A 120.0 ?
C20A C21A C16A 120.7(5) ?
C20A C21A H21A 119.7 ?
C16A C21A H21A 119.7 ?
C23A C22A C27A 118.0(4) ?
C23A C22A C15A 123.8(4) ?
C27A C22A C15A 118.2(4) ?
C24A C23A C22A 120.9(5) ?
C24A C23A H23A 119.5 ?
C22A C23A H23A 119.5 ?
C23A C24A C25A 120.2(5) ?
C23A C24A H24A 119.9 ?
C25A C24A H24A 119.9 ?
C26A C25A C24A 119.9(5) ?
C26A C25A H25A 120.1 ?
C24A C25A H25A 120.1 ?
C25A C26A C27A 119.4(5) ?
C25A C26A H26A 120.3 ?
C27A C26A H26A 120.3 ?
C26A C27A C22A 121.5(4) ?
C26A C27A H27A 119.3 ?
C22A C27A H27A 119.3 ?
O3A C28A C29A 123.6(4) y
O3A C28A C31A 114.9(4) y
C29A C28A C31A 121.4(4) y
C28A C29A C30A 124.2(4) y
C28A C29A H29A 117.9 ?
C30A C29A H29A 117.9 ?
O4A C30A C29A 123.8(4) y
O4A C30A C37A 115.4(4) y
C29A C30A C37A 120.8(4) y
C36A C31A C32A 117.8(5) ?
C36A C31A C28A 123.4(4) ?
C32A C31A C28A 118.8(4) ?
C33A C32A C31A 120.4(5) ?
C33A C32A H32A 119.8 ?
C31A C32A H32A 119.8 ?
C34A C33A C32A 120.9(5) ?
C34A C33A H33A 119.5 ?
C32A C33A H33A 119.5 ?
C33A C34A C35A 119.6(5) ?
C33A C34A H34A 120.2 ?
C35A C34A H34A 120.2 ?
C34A C35A C36A 120.0(5) ?
C34A C35A H35A 120.0 ?
C36A C35A H35A 120.0 ?
C35A C36A C31A 121.2(5) ?
C35A C36A H36A 119.4 ?
C31A C36A H36A 119.4 ?
C42A C37A C38A 118.1(4) ?
C42A C37A C30A 118.9(4) ?
C38A C37A C30A 123.0(4) ?
C39A C38A C37A 120.5(5) ?
C39A C38A H38A 119.8 ?
C37A C38A H38A 119.8 ?
C40A C39A C38A 120.4(5) ?
C40A C39A H39A 119.8 ?
C38A C39A H39A 119.8 ?
C41A C40A C39A 119.8(5) ?
C41A C40A H40A 120.1 ?
C39A C40A H40A 120.1 ?
C40A C41A C42A 119.8(5) ?
C40A C41A H41A 120.1 ?
C42A C41A H41A 120.1 ?
C37A C42A C41A 121.5(5) ?
C37A C42A H42A 119.3 ?
C41A C42A H42A 119.3 ?
O5A C43A C44A 124.3(4) y
O5A C43A C46A 118.4(4) y
C44A C43A C46A 117.3(4) y
C45A C44A C43A 125.0(4) y
C45A C44A H44A 117.5 ?
C43A C44A H44A 117.5 ?
O6A C45A C44A 124.5(4) y
O6A C45A C52A 116.4(4) y
C44A C45A C52A 119.0(4) y
C51A C46A C47A 117.7(5) ?
C51A C46A C43A 122.8(5) ?
C47A C46A C43A 119.4(5) ?
C48A C47A C46A 121.2(6) ?
C48A C47A H47A 119.4 ?
C46A C47A H47A 119.4 ?
C47A C48A C49A 119.8(6) ?
C47A C48A H48A 120.1 ?
C49A C48A H48A 120.1 ?
C50A C49A C48A 119.7(6) ?
C50A C49A H49A 120.1 ?
C48A C49A H49A 120.1 ?
C51A C50A C49A 120.1(6) ?
C51A C50A H50A 120.0 ?
C49A C50A H50A 120.0 ?
C50A C51A C46A 121.5(6) ?
C50A C51A H51A 119.3 ?
C46A C51A H51A 119.3 ?
C57A C52A C53A 118.0(4) ?
C57A C52A C45A 119.8(4) ?
C53A C52A C45A 122.2(4) ?
C54A C53A C52A 120.1(5) ?
C54A C53A H53A 119.9 ?
C52A C53A H53A 119.9 ?
C55A C54A C53A 120.6(5) ?
C55A C54A H54A 119.7 ?
C53A C54A H54A 119.7 ?
C54A C55A C56A 120.6(5) ?
C54A C55A H55A 119.7 ?
C56A C55A H55A 119.7 ?
C57A C56A C55A 118.4(5) ?
C57A C56A H56A 120.8 ?
C55A C56A H56A 120.8 ?
C52A C57A C56A 122.2(4) ?
C52A C57A H57A 118.9 ?
C56A C57A H57A 118.9 ?
O4B Eu1B O3B 71.10(11) ?
O4B Eu1B O5B 82.57(10) ?
O3B Eu1B O5B 137.06(11) ?
O4B Eu1B O2B 145.96(10) ?
O3B Eu1B O2B 76.22(11) ?
O5B Eu1B O2B 129.55(10) ?
O4B Eu1B O1B 138.45(10) ?
O3B Eu1B O1B 145.37(11) ?
O5B Eu1B O1B 74.70(11) ?
O2B Eu1B O1B 70.56(11) ?
O4B Eu1B O6B 100.71(11) ?
O3B Eu1B O6B 80.99(11) ?
O5B Eu1B O6B 71.09(11) ?
O2B Eu1B O6B 83.08(11) ?
O1B Eu1B O6B 104.02(10) ?
O4B Eu1B N1B 90.08(11) ?
O3B Eu1B N1B 78.94(13) ?
O5B Eu1B N1B 135.66(13) ?
O2B Eu1B N1B 74.33(11) ?
O1B Eu1B N1B 82.93(12) ?
O6B Eu1B N1B 152.71(13) ?
O4B Eu1B N2B 71.26(11) ?
O3B Eu1B N2B 124.28(10) ?
O5B Eu1B N2B 74.66(11) ?
O2B Eu1B N2B 122.73(12) ?
O1B Eu1B N2B 69.42(10) ?
O6B Eu1B N2B 145.59(12) ?
N1B Eu1B N2B 61.66(13) ?
C1B N1B C12B 117.4(5) ?
C1B N1B Eu1B 122.2(4) ?
C12B N1B Eu1B 118.9(3) ?
C13B O1B Eu1B 137.9(3) ?
N1B C1B C2B 124.1(6) ?
N1B C1B H1BA 117.9 ?
C2B C1B H1BA 117.9 ?
C10B N2B C11B 117.7(4) ?
C10B N2B Eu1B 122.5(3) ?
C11B N2B Eu1B 118.7(3) ?
C15B O2B Eu1B 137.3(3) ?
C3B C2B C1B 118.2(6) ?
C3B C2B H2BA 120.9 ?
C1B C2B H2BA 120.9 ?
C28B O3B Eu1B 138.6(3) ?
C2B C3B C4B 120.5(6) ?
C2B C3B H3BA 119.8 ?
C4B C3B H3BA 119.8 ?
C30B O4B Eu1B 139.1(3) ?
C12B C4B C3B 117.3(6) ?
C12B C4B C5B 119.5(6) ?
C3B C4B C5B 123.1(6) ?
C43B O5B Eu1B 138.2(3) ?
C6B C5B C4B 121.3(6) ?
C6B C5B H5BA 119.3 ?
C4B C5B H5BA 119.3 ?
C45B O6B Eu1B 137.3(3) ?
C5B C6B C7B 120.9(6) ?
C5B C6B H6BA 119.5 ?
C7B C6B H6BA 119.5 ?
C8B C7B C11B 116.6(5) ?
C8B C7B C6B 123.9(6) ?
C11B C7B C6B 119.4(6) ?
C9B C8B C7B 121.1(5) ?
C9B C8B H8BA 119.4 ?
C7B C8B H8BA 119.4 ?
C8B C9B C10B 118.1(6) ?
C8B C9B H9BA 121.0 ?
C10B C9B H9BA 121.0 ?
N2B C10B C9B 123.7(5) ?
N2B C10B H10B 118.2 ?
C9B C10B H10B 118.2 ?
N2B C11B C7B 122.6(5) ?
N2B C11B C12B 118.0(5) ?
C7B C11B C12B 119.4(5) ?
N1B C12B C4B 122.4(5) ?
N1B C12B C11B 118.1(5) ?
C4B C12B C11B 119.5(5) ?
O1B C13B C14B 124.4(4) ?
O1B C13B C16B 116.3(4) ?
C14B C13B C16B 119.2(4) ?
C13B C14B C15B 122.6(4) ?
C13B C14B H14B 118.7 ?
C15B C14B H14B 118.7 ?
O2B C15B C14B 124.5(4) ?
O2B C15B C22B 116.5(4) ?
C14B C15B C22B 118.8(4) ?
C21B C16B C17B 118.6(4) ?
C21B C16B C13B 124.1(4) ?
C17B C16B C13B 117.3(4) ?
C16B C17B C18B 120.6(5) ?
C16B C17B H17B 119.7 ?
C18B C17B H17B 119.7 ?
C19B C18B C17B 119.5(5) ?
C19B C18B H18B 120.2 ?
C17B C18B H18B 120.2 ?
C20B C19B C18B 119.9(5) ?
C20B C19B H19B 120.1 ?
C18B C19B H19B 120.1 ?
C21B C20B C19B 120.4(5) ?
C21B C20B H20B 119.8 ?
C19B C20B H20B 119.8 ?
C20B C21B C16B 121.0(5) ?
C20B C21B H21B 119.5 ?
C16B C21B H21B 119.5 ?
C23B C22B C27B 118.0(5) ?
C23B C22B C15B 124.6(5) ?
C27B C22B C15B 117.4(4) ?
C22B C23B C24B 121.1(5) ?
C22B C23B H23B 119.5 ?
C24B C23B H23B 119.5 ?
C23B C24B C25B 119.9(5) ?
C23B C24B H24B 120.0 ?
C25B C24B H24B 120.0 ?
C26B C25B C24B 119.1(6) ?
C26B C25B H25B 120.5 ?
C24B C25B H25B 120.5 ?
C25B C26B C27B 121.1(6) ?
C25B C26B H26B 119.5 ?
C27B C26B H26B 119.5 ?
C26B C27B C22B 120.8(5) ?
C26B C27B H27B 119.6 ?
C22B C27B H27B 119.6 ?
O3B C28B C29B 123.0(4) ?
O3B C28B C31B 116.3(4) ?
C29B C28B C31B 120.7(4) ?
C28B C29B C30B 124.4(4) ?
C28B C29B H29B 117.8 ?
C30B C29B H29B 117.8 ?
O4B C30B C29B 123.3(4) ?
O4B C30B C37B 115.8(4) ?
C29B C30B C37B 120.9(4) ?
C32B C31B C36B 117.2(5) ?
C32B C31B C28B 118.7(4) ?
C36B C31B C28B 124.0(4) ?
C33B C32B C31B 121.8(5) ?
C33B C32B H32B 119.1 ?
C31B C32B H32B 119.1 ?
C32B C33B C34B 120.2(5) ?
C32B C33B H33B 119.9 ?
C34B C33B H33B 119.9 ?
C35B C34B C33B 119.2(5) ?
C35B C34B H34B 120.4 ?
C33B C34B H34B 120.4 ?
C34B C35B C36B 120.5(5) ?
C34B C35B H35B 119.7 ?
C36B C35B H35B 119.7 ?
C31B C36B C35B 121.0(4) ?
C31B C36B H36B 119.5 ?
C35B C36B H36B 119.5 ?
C38B C37B C42B 119.0(4) ?
C38B C37B C30B 122.6(4) ?
C42B C37B C30B 118.4(4) ?
C39B C38B C37B 120.2(5) ?
C39B C38B H38B 119.9 ?
C37B C38B H38B 119.9 ?
C40B C39B C38B 120.4(5) ?
C40B C39B H39B 119.8 ?
C38B C39B H39B 119.8 ?
C39B C40B C41B 120.1(4) ?
C39B C40B H40B 119.9 ?
C41B C40B H40B 119.9 ?
C42B C41B C40B 119.6(5) ?
C42B C41B H41B 120.2 ?
C40B C41B H41B 120.2 ?
C41B C42B C37B 120.5(4) ?
C41B C42B H42B 119.7 ?
C37B C42B H42B 119.7 ?
O5B C43B C44B 124.4(4) ?
O5B C43B C46B 116.0(4) ?
C44B C43B C46B 119.5(4) ?
C43B C44B C45B 123.5(4) y
C43B C44B H44B 118.3 ?
C45B C44B H44B 118.3 ?
O6B C45B C44B 124.6(4) ?
O6B C45B C52B 115.8(4) ?
C44B C45B C52B 119.6(4) ?
C51B C46B C47B 118.4(5) ?
C51B C46B C43B 122.4(5) ?
C47B C46B C43B 119.2(5) ?
C48B C47B C46B 120.6(5) ?
C48B C47B H47B 119.7 ?
C46B C47B H47B 119.7 ?
C47B C48B C49B 120.1(5) ?
C47B C48B H48B 119.9 ?
C49B C48B H48B 119.9 ?
C50B C49B C48B 119.4(5) ?
C50B C49B H49B 120.3 ?
C48B C49B H49B 120.3 ?
C49B C50B C51B 121.1(5) ?
C49B C50B H50B 119.4 ?
C51B C50B H50B 119.4 ?
C50B C51B C46B 120.4(5) ?
C50B C51B H51B 119.8 ?
C46B C51B H51B 119.8 ?
C57B C52B C53B 118.8(4) ?
C57B C52B C45B 119.4(4) ?
C53B C52B C45B 121.8(5) ?
C54B C53B C52B 120.1(5) ?
C54B C53B H53B 120.0 ?
C52B C53B H53B 120.0 ?
C55B C54B C53B 120.1(5) ?
C55B C54B H54B 120.0 ?
C53B C54B H54B 120.0 ?
C54B C55B C56B 120.2(5) ?
C54B C55B H55B 119.9 ?
C56B C55B H55B 119.9 ?
C57B C56B C55B 119.9(6) ?
C57B C56B H56B 120.1 ?
C55B C56B H56B 120.1 ?
C52B C57B C56B 120.9(5) ?
C52B C57B H57B 119.6 ?
C56B C57B H57B 119.6 ?
O5C Eu1C O1C 141.71(10) ?
O5C Eu1C O3C 140.85(9) ?
O1C Eu1C O3C 76.36(10) ?
O5C Eu1C O4C 83.26(11) ?
O1C Eu1C O4C 109.34(11) ?
O3C Eu1C O4C 71.57(11) ?
O5C Eu1C O6C 71.40(10) ?
O1C Eu1C O6C 139.49(10) ?
O3C Eu1C O6C 80.91(11) ?
O4C Eu1C O6C 94.32(10) ?
O5C Eu1C O2C 75.70(10) ?
O1C Eu1C O2C 70.92(10) ?
O3C Eu1C O2C 127.23(11) ?
O4C Eu1C O2C 81.59(10) ?
O6C Eu1C O2C 147.10(10) ?
O5C Eu1C N1C 75.36(11) ?
O1C Eu1C N1C 78.69(10) ?
O3C Eu1C N1C 135.93(11) ?
O4C Eu1C N1C 151.96(12) ?
O6C Eu1C N1C 95.80(11) ?
O2C Eu1C N1C 75.75(11) ?
O5C Eu1C N2C 117.60(12) ?
O1C Eu1C N2C 72.07(11) ?
O3C Eu1C N2C 75.82(11) ?
O4C Eu1C N2C 145.73(12) ?
O6C Eu1C N2C 70.07(10) ?
O2C Eu1C N2C 127.99(10) ?
N1C Eu1C N2C 62.11(12) ?
C1C N1C C12C 117.0(4) ?
C1C N1C Eu1C 121.7(3) ?
C12C N1C Eu1C 121.2(3) ?
C13C O1C Eu1C 138.3(3) ?
N1C C1C C2C 124.4(5) ?
N1C C1C H1CA 117.8 ?
C2C C1C H1CA 117.8 ?
C10C N2C C11C 118.9(4) ?
C10C N2C Eu1C 121.1(3) ?
C11C N2C Eu1C 119.9(3) ?
C15C O2C Eu1C 135.3(3) ?
C3C C2C C1C 118.4(5) ?
C3C C2C H2CA 120.8 ?
C1C C2C H2CA 120.8 ?
C28C O3C Eu1C 138.4(3) ?
C2C C3C C4C 119.3(5) ?
C2C C3C H3CA 120.4 ?
C4C C3C H3CA 120.4 ?
C30C O4C Eu1C 136.8(3) ?
C3C C4C C12C 118.1(5) ?
C3C C4C C5C 122.8(5) ?
C12C C4C C5C 119.1(5) ?
C43C O5C Eu1C 138.5(3) ?
C6C C5C C4C 121.3(5) ?
C6C C5C H5CA 119.4 ?
C4C C5C H5CA 119.4 ?
C45C O6C Eu1C 137.0(3) ?
C5C C6C C7C 121.7(5) ?
C5C C6C H6CA 119.1 ?
C7C C6C H6CA 119.1 ?
C8C C7C C11C 117.4(4) ?
C8C C7C C6C 123.3(5) ?
C11C C7C C6C 119.3(5) ?
C9C C8C C7C 120.7(5) ?
C9C C8C H8CA 119.7 ?
C7C C8C H8CA 119.7 ?
C8C C9C C10C 118.7(5) ?
C8C C9C H9CA 120.6 ?
C10C C9C H9CA 120.6 ?
N2C C10C C9C 122.3(5) ?
N2C C10C H10C 118.8 ?
C9C C10C H10C 118.8 ?
N2C C11C C7C 122.0(4) ?
N2C C11C C12C 118.6(4) ?
C7C C11C C12C 119.3(4) ?
N1C C12C C4C 122.8(5) ?
N1C C12C C11C 117.9(4) ?
C4C C12C C11C 119.3(4) ?
O1C C13C C14C 123.9(4) ?
O1C C13C C16C 115.1(4) ?
C14C C13C C16C 121.0(4) ?
C13C C14C C15C 124.5(4) ?
C13C C14C H14C 117.8 ?
C15C C14C H14C 117.8 ?
O2C C15C C14C 123.6(4) ?
O2C C15C C22C 117.0(4) ?
C14C C15C C22C 119.4(4) ?
C17C C16C C21C 118.5(4) ?
C17C C16C C13C 119.0(4) ?
C21C C16C C13C 122.5(4) ?
C16C C17C C18C 121.9(4) ?
C16C C17C H17C 119.0 ?
C18C C17C H17C 119.0 ?
C19C C18C C17C 118.9(5) ?
C19C C18C H18C 120.5 ?
C17C C18C H18C 120.5 ?
C20C C19C C18C 120.4(4) ?
C20C C19C H19C 119.8 ?
C18C C19C H19C 119.8 ?
C19C C20C C21C 119.9(5) ?
C19C C20C H20C 120.1 ?
C21C C20C H20C 120.1 ?
C16C C21C C20C 120.4(5) ?
C16C C21C H21C 119.8 ?
C20C C21C H21C 119.8 ?
C27C C22C C23C 118.4(4) ?
C27C C22C C15C 119.2(4) ?
C23C C22C C15C 122.4(4) ?
C24C C23C C22C 120.9(4) ?
C24C C23C H23C 119.5 ?
C22C C23C H23C 119.5 ?
C23C C24C C25C 120.7(4) ?
C23C C24C H24C 119.6 ?
C25C C24C H24C 119.6 ?
C24C C25C C26C 118.7(5) ?
C24C C25C H25C 120.6 ?
C26C C25C H25C 120.6 ?
C27C C26C C25C 120.9(5) ?
C27C C26C H26C 119.5 ?
C25C C26C H26C 119.5 ?
C26C C27C C22C 120.4(4) ?
C26C C27C H27C 119.8 ?
C22C C27C H27C 119.8 ?
O3C C28C C29C 123.4(5) ?
O3C C28C C31C 116.3(4) ?
C29C C28C C31C 120.3(4) ?
C30C C29C C28C 124.2(5) ?
C30C C29C H29C 117.9 ?
C28C C29C H29C 117.9 ?
O4C C30C C29C 125.3(4) ?
O4C C30C C37C 116.2(4) ?
C29C C30C C37C 118.5(4) ?
C32C C31C C36C 118.4(5) ?
C32C C31C C28C 119.3(4) ?
C36C C31C C28C 122.3(4) ?
C33C C32C C31C 120.8(5) ?
C33C C32C H32C 119.6 ?
C31C C32C H32C 119.6 ?
C34C C33C C32C 120.4(5) ?
C34C C33C H33C 119.8 ?
C32C C33C H33C 119.8 ?
C33C C34C C35C 119.7(5) ?
C33C C34C H34C 120.2 ?
C35C C34C H34C 120.2 ?
C36C C35C C34C 120.2(5) ?
C36C C35C H35C 119.9 ?
C34C C35C H35C 119.9 ?
C35C C36C C31C 120.5(4) ?
C35C C36C H36C 119.7 ?
C31C C36C H36C 119.7 ?
C42C C37C C38C 119.2(4) ?
C42C C37C C30C 118.8(4) ?
C38C C37C C30C 121.9(5) ?
C37C C38C C39C 119.7(5) ?
C37C C38C H38C 120.2 ?
C39C C38C H38C 120.2 ?
C40C C39C C38C 120.4(5) ?
C40C C39C H39C 119.8 ?
C38C C39C H39C 119.8 ?
C39C C40C C41C 120.7(5) ?
C39C C40C H40C 119.7 ?
C41C C40C H40C 119.7 ?
C42C C41C C40C 118.5(6) ?
C42C C41C H41C 120.7 ?
C40C C41C H41C 120.7 ?
C37C C42C C41C 121.4(5) ?
C37C C42C H42C 119.3 ?
C41C C42C H42C 119.3 ?
O5C C43C C44C 124.7(4) ?
O5C C43C C46C 114.8(4) ?
C44C C43C C46C 120.5(4) ?
C43C C44C C45C 123.2(4) ?
C43C C44C H44C 118.4 ?
C45C C44C H44C 118.4 ?
O6C C45C C44C 124.5(4) ?
O6C C45C C52C 116.3(4) ?
C44C C45C C52C 119.2(4) ?
C51C C46C C47C 118.0(4) ?
C51C C46C C43C 124.4(4) ?
C47C C46C C43C 117.6(4) ?
C48C C47C C46C 121.1(4) ?
C48C C47C H47C 119.5 ?
C46C C47C H47C 119.5 ?
C49C C48C C47C 120.3(5) ?
C49C C48C H48C 119.9 ?
C47C C48C H48C 119.9 ?
C48C C49C C50C 118.5(5) ?
C48C C49C H49C 120.8 ?
C50C C49C H49C 120.8 ?
C49C C50C C51C 121.4(5) ?
C49C C50C H50C 119.3 ?
C51C C50C H50C 119.3 ?
C46C C51C C50C 120.7(5) ?
C46C C51C H51C 119.7 ?
C50C C51C H51C 119.7 ?
C57C C52C C53C 119.0(5) ?
C57C C52C C45C 118.5(5) ?
C53C C52C C45C 122.4(5) ?
C54C C53C C52C 119.2(5) ?
C54C C53C H53C 120.4 ?
C52C C53C H53C 120.4 ?
C55C C54C C53C 121.3(6) ?
C55C C54C H54C 119.3 ?
C53C C54C H54C 119.3 ?
C54C C55C C56C 120.7(6) ?
C54C C55C H55C 119.7 ?
C56C C55C H55C 119.7 ?
C55C C56C C57C 119.3(7) ?
C55C C56C H56C 120.4 ?
C57C C56C H56C 120.4 ?
C52C C57C C56C 120.5(6) ?
C52C C57C H57C 119.8 ?
C56C C57C H57C 119.8 ?
O1D Eu1D O2D 72.02(10) ?
O1D Eu1D O4D 112.52(10) ?
O2D Eu1D O4D 78.45(10) ?
O1D Eu1D O5D 135.71(9) ?
O2D Eu1D O5D 76.78(10) ?
O4D Eu1D O5D 90.57(10) ?
O1D Eu1D O6D 142.93(10) ?
O2D Eu1D O6D 144.80(10) ?
O4D Eu1D O6D 86.77(10) ?
O5D Eu1D O6D 71.57(10) ?
O1D Eu1D O3D 77.07(9) ?
O2D Eu1D O3D 123.64(11) ?
O4D Eu1D O3D 71.56(10) ?
O5D Eu1D O3D 147.21(9) ?
O6D Eu1D O3D 79.97(10) ?
O1D Eu1D N2D 73.56(10) ?
O2D Eu1D N2D 134.40(9) ?
O4D Eu1D N2D 143.42(11) ?
O5D Eu1D N2D 110.15(11) ?
O6D Eu1D N2D 72.66(10) ?
O3D Eu1D N2D 75.21(11) ?
O1D Eu1D N1D 73.05(10) ?
O2D Eu1D N1D 79.25(11) ?
O4D Eu1D N1D 153.71(11) ?
O5D Eu1D N1D 70.85(10) ?
O6D Eu1D N1D 103.90(10) ?
O3D Eu1D N1D 133.45(11) ?
N2D Eu1D N1D 62.62(11) ?
C1D N1D C12D 117.9(4) ?
C1D N1D Eu1D 122.0(3) ?
C12D N1D Eu1D 120.0(3) ?
C13D O1D Eu1D 135.9(3) ?
N1D C1D C2D 124.2(4) ?
N1D C1D H1DA 117.9 ?
C2D C1D H1DA 117.9 ?
C10D N2D C11D 117.7(4) ?
C10D N2D Eu1D 121.7(3) ?
C11D N2D Eu1D 120.6(3) ?
C15D O2D Eu1D 135.0(3) ?
C3D C2D C1D 118.4(5) ?
C3D C2D H2DA 120.8 ?
C1D C2D H2DA 120.8 ?
C28D O3D Eu1D 137.0(3) ?
C2D C3D C4D 119.9(4) ?
C2D C3D H3DA 120.1 ?
C4D C3D H3DA 120.1 ?
C30D O4D Eu1D 135.6(3) ?
C3D C4D C12D 117.4(4) ?
C3D C4D C5D 123.1(4) ?
C12D C4D C5D 119.5(5) ?
C43D O5D Eu1D 138.1(3) ?
C6D C5D C4D 121.3(4) ?
C6D C5D H5DA 119.3 ?
C4D C5D H5DA 119.3 ?
C45D O6D Eu1D 136.8(3) ?
C5D C6D C7D 120.9(5) ?
C5D C6D H6DA 119.5 ?
C7D C6D H6DA 119.5 ?
C8D C7D C11D 117.7(4) ?
C8D C7D C6D 122.8(5) ?
C11D C7D C6D 119.4(5) ?
C9D C8D C7D 119.8(5) ?
C9D C8D H8DA 120.1 ?
C7D C8D H8DA 120.1 ?
C8D C9D C10D 118.5(5) ?
C8D C9D H9DA 120.7 ?
C10D C9D H9DA 120.7 ?
N2D C10D C9D 123.9(4) ?
N2D C10D H10D 118.1 ?
C9D C10D H10D 118.1 ?
N2D C11D C7D 122.3(4) ?
N2D C11D C12D 117.9(4) ?
C7D C11D C12D 119.9(4) ?
N1D C12D C4D 122.2(4) ?
N1D C12D C11D 118.8(4) ?
C4D C12D C11D 119.0(4) ?
O1D C13D C14D 124.7(4) ?
O1D C13D C16D 115.2(4) ?
C14D C13D C16D 120.0(4) ?
C13D C14D C15D 124.3(4) ?
C13D C14D H14D 117.9 ?
C15D C14D H14D 117.9 ?
O2D C15D C14D 123.7(4) ?
O2D C15D C22D 116.1(4) ?
C14D C15D C22D 120.2(4) ?
C17D C16D C21D 118.0(4) ?
C17D C16D C13D 119.1(4) ?
C21D C16D C13D 122.9(4) ?
C16D C17D C18D 121.2(4) ?
C16D C17D H17D 119.4 ?
C18D C17D H17D 119.4 ?
C19D C18D C17D 120.2(5) ?
C19D C18D H18D 119.9 ?
C17D C18D H18D 119.9 ?
C18D C19D C20D 119.1(4) ?
C18D C19D H19D 120.5 ?
C20D C19D H19D 120.5 ?
C21D C20D C19D 120.9(4) ?
C21D C20D H20D 119.6 ?
C19D C20D H20D 119.6 ?
C20D C21D C16D 120.7(5) ?
C20D C21D H21D 119.7 ?
C16D C21D H21D 119.7 ?
C23D C22D C27D 118.1(4) ?
C23D C22D C15D 123.4(4) ?
C27D C22D C15D 118.5(4) ?
C24D C23D C22D 121.1(4) ?
C24D C23D H23D 119.4 ?
C22D C23D H23D 119.4 ?
C23D C24D C25D 120.0(5) ?
C23D C24D H24D 120.0 ?
C25D C24D H24D 120.0 ?
C26D C25D C24D 119.2(5) ?
C26D C25D H25D 120.4 ?
C24D C25D H25D 120.4 ?
C25D C26D C27D 121.4(5) ?
C25D C26D H26D 119.3 ?
C27D C26D H26D 119.3 ?
C26D C27D C22D 120.1(5) ?
C26D C27D H27D 120.0 ?
C22D C27D H27D 120.0 ?
O3D C28D C29D 124.2(4) ?
O3D C28D C31D 117.1(4) ?
C29D C28D C31D 118.5(4) ?
C30D C29D C28D 123.2(4) ?
C30D C29D H29D 118.4 ?
C28D C29D H29D 118.4 ?
O4D C30D C29D 125.9(4) ?
O4D C30D C37D 115.7(4) ?
C29D C30D C37D 118.2(4) ?
C36D C31D C32D 118.4(4) ?
C36D C31D C28D 123.8(4) ?
C32D C31D C28D 117.8(4) ?
C33D C32D C31D 119.8(4) ?
C33D C32D H32D 120.1 ?
C31D C32D H32D 120.1 ?
C34D C33D C32D 121.1(4) ?
C34D C33D H33D 119.4 ?
C32D C33D H33D 119.4 ?
C33D C34D C35D 119.9(5) ?
C33D C34D H34D 120.0 ?
C35D C34D H34D 120.0 ?
C36D C35D C34D 119.1(4) ?
C36D C35D H35D 120.5 ?
C34D C35D H35D 120.5 ?
C35D C36D C31D 121.6(4) ?
C35D C36D H36D 119.2 ?
C31D C36D H36D 119.2 ?
C42D C37D C38D 119.0(4) ?
C42D C37D C30D 119.0(4) ?
C38D C37D C30D 121.9(4) ?
C39D C38D C37D 119.4(5) ?
C39D C38D H38D 120.3 ?
C37D C38D H38D 120.3 ?
C40D C39D C38D 121.1(5) ?
C40D C39D H39D 119.4 ?
C38D C39D H39D 119.4 ?
C39D C40D C41D 120.7(5) ?
C39D C40D H40D 119.6 ?
C41D C40D H40D 119.6 ?
C40D C41D C42D 118.4(5) ?
C40D C41D H41D 120.8 ?
C42D C41D H41D 120.8 ?
C37D C42D C41D 121.3(4) ?
C37D C42D H42D 119.4 ?
C41D C42D H42D 119.4 ?
O5D C43D C44D 124.3(4) ?
O5D C43D C46D 116.0(4) ?
C44D C43D C46D 119.6(4) ?
C45D C44D C43D 123.8(4) ?
C45D C44D H44D 118.1 ?
C43D C44D H44D 118.1 ?
O6D C45D C44D 125.2(4) ?
O6D C45D C52D 115.4(4) ?
C44D C45D C52D 119.4(4) ?
C51D C46D C47D 117.4(4) ?
C51D C46D C43D 123.4(4) ?
C47D C46D C43D 119.2(4) ?
C48D C47D C46D 122.1(4) ?
C48D C47D H47D 118.9 ?
C46D C47D H47D 118.9 ?
C47D C48D C49D 119.3(4) ?
C47D C48D H48D 120.3 ?
C49D C48D H48D 120.3 ?
C50D C49D C48D 119.5(5) ?
C50D C49D H49D 120.2 ?
C48D C49D H49D 120.2 ?
C51D C50D C49D 120.7(4) ?
C51D C50D H50D 119.7 ?
C49D C50D H50D 119.7 ?
C50D C51D C46D 120.9(4) ?
C50D C51D H51D 119.5 ?
C46D C51D H51D 119.5 ?
C53D C52D C57D 117.9(4) ?
C53D C52D C45D 122.0(4) ?
C57D C52D C45D 120.0(4) ?
C54D C53D C52D 121.5(4) ?
C54D C53D H53D 119.2 ?
C52D C53D H53D 119.2 ?
C55D C54D C53D 119.7(4) ?
C55D C54D H54D 120.2 ?
C53D C54D H54D 120.2 ?
C54D C55D C56D 120.3(5) ?
C54D C55D H55D 119.8 ?
C56D C55D H55D 119.8 ?
C55D C56D C57D 120.0(5) ?
C55D C56D H56D 120.0 ?
C57D C56D H56D 120.0 ?
C56D C57D C52D 120.4(4) ?
C56D C57D H57D 119.8 ?
C52D C57D H57D 119.8 ?
O5E Eu1E O4E 81.92(11) ?
O5E Eu1E O3E 128.94(10) ?
O4E Eu1E O3E 72.42(11) ?
O5E Eu1E O6E 70.66(11) ?
O4E Eu1E O6E 109.44(11) ?
O3E Eu1E O6E 77.35(12) ?
O5E Eu1E O1E 149.03(11) ?
O4E Eu1E O1E 89.37(11) ?
O3E Eu1E O1E 75.06(11) ?
O6E Eu1E O1E 139.78(11) ?
O5E Eu1E O2E 77.74(11) ?
O4E Eu1E O2E 76.96(11) ?
O3E Eu1E O2E 134.20(11) ?
O6E Eu1E O2E 146.16(11) ?
O1E Eu1E O2E 71.34(11) ?
O5E Eu1E N1E 75.40(11) ?
O4E Eu1E N1E 146.63(12) ?
O3E Eu1E N1E 140.90(11) ?
O6E Eu1E N1E 85.87(12) ?
O1E Eu1E N1E 97.58(11) ?
O2E Eu1E N1E 74.55(11) ?
O5E Eu1E N2E 124.02(12) ?
O4E Eu1E N2E 150.36(12) ?
O3E Eu1E N2E 79.27(11) ?
O6E Eu1E N2E 71.78(11) ?
O1E Eu1E N2E 74.76(11) ?
O2E Eu1E N2E 119.32(11) ?
N1E Eu1E N2E 61.90(12) ?
C1E N1E C12E 117.5(4) ?
C1E N1E Eu1E 121.8(3) ?
C12E N1E Eu1E 120.5(3) ?
C13E O1E Eu1E 135.6(3) ?
N1E C1E C2E 124.1(5) ?
N1E C1E H1EA 117.9 ?
C2E C1E H1EA 117.9 ?
C10E N2E C11E 117.8(4) ?
C10E N2E Eu1E 122.4(3) ?
C11E N2E Eu1E 119.4(3) ?
C15E O2E Eu1E 133.7(3) ?
C3E C2E C1E 118.2(5) ?
C3E C2E H2EA 120.9 ?
C1E C2E H2EA 120.9 ?
C28E O3E Eu1E 132.5(3) ?
C2E C3E C4E 120.3(5) ?
C2E C3E H3EA 119.8 ?
C4E C3E H3EA 119.8 ?
C30E O4E Eu1E 134.1(3) ?
C3E C4E C12E 117.6(5) ?
C3E C4E C5E 123.5(5) ?
C12E C4E C5E 118.8(5) ?
C43E O5E Eu1E 139.4(3) ?
C6E C5E C4E 121.2(5) ?
C6E C5E H5EA 119.4 ?
C4E C5E H5EA 119.4 ?
C45E O6E Eu1E 139.0(3) ?
C5E C6E C7E 122.1(5) ?
C5E C6E H6EA 118.9 ?
C7E C6E H6EA 118.9 ?
C8E C7E C6E 125.0(5) ?
C8E C7E C11E 116.9(5) ?
C6E C7E C11E 118.1(5) ?
C9E C8E C7E 121.1(5) ?
C9E C8E H8EA 119.5 ?
C7E C8E H8EA 119.5 ?
C8E C9E C10E 118.1(5) ?
C8E C9E H9EA 120.9 ?
C10E C9E H9EA 120.9 ?
N2E C10E C9E 124.1(5) ?
N2E C10E H10E 117.9 ?
C9E C10E H10E 117.9 ?
N2E C11E C12E 118.4(4) ?
N2E C11E C7E 122.0(5) ?
C12E C11E C7E 119.5(5) ?
N1E C12E C4E 122.3(5) ?
N1E C12E C11E 117.9(4) ?
C4E C12E C11E 119.8(4) ?
O1E C13E C14E 124.9(4) ?
O1E C13E C16E 115.9(4) ?
C14E C13E C16E 119.3(4) ?
C15E C14E C13E 123.5(5) ?
C15E C14E H14E 118.3 ?
C13E C14E H14E 118.3 ?
O2E C15E C14E 124.2(5) ?
O2E C15E C22E 115.7(4) ?
C14E C15E C22E 120.2(4) ?
C21E C16E C17E 119.0(4) ?
C21E C16E C13E 122.4(4) ?
C17E C16E C13E 118.5(4) ?
C16E C17E C18E 120.8(5) ?
C16E C17E H17E 119.6 ?
C18E C17E H17E 119.6 ?
C17E C18E C19E 119.4(5) ?
C17E C18E H18E 120.3 ?
C19E C18E H18E 120.3 ?
C20E C19E C18E 120.0(5) ?
C20E C19E H19E 120.0 ?
C18E C19E H19E 120.0 ?
C19E C20E C21E 120.2(5) ?
C19E C20E H20E 119.9 ?
C21E C20E H20E 119.9 ?
C20E C21E C16E 120.6(5) ?
C20E C21E H21E 119.7 ?
C16E C21E H21E 119.7 ?
C23E C22E C27E 118.4(4) ?
C23E C22E C15E 123.2(4) ?
C27E C22E C15E 118.2(4) ?
C22E C23E C24E 120.4(4) ?
C22E C23E H23E 119.8 ?
C24E C23E H23E 119.8 ?
C25E C24E C23E 120.7(5) ?
C25E C24E H24E 119.6 ?
C23E C24E H24E 119.6 ?
C24E C25E C26E 119.0(5) ?
C24E C25E H25E 120.5 ?
C26E C25E H25E 120.5 ?
C27E C26E C25E 120.3(4) ?
C27E C26E H26E 119.9 ?
C25E C26E H26E 119.9 ?
C26E C27E C22E 121.2(5) ?
C26E C27E H27E 119.4 ?
C22E C27E H27E 119.4 ?
O3E C28E C29E 124.0(4) ?
O3E C28E C31E 116.5(4) ?
C29E C28E C31E 119.5(5) ?
C30E C29E C28E 123.5(5) ?
C30E C29E H29E 118.2 ?
C28E C29E H29E 118.2 ?
O4E C30E C29E 125.0(4) ?
O4E C30E C37E 116.6(4) ?
C29E C30E C37E 118.4(4) ?
C36E C31E C32E 119.3(5) ?
C36E C31E C28E 122.6(5) ?
C32E C31E C28E 118.1(5) ?
C33E C32E C31E 119.4(6) ?
C33E C32E H32E 120.3 ?
C31E C32E H32E 120.3 ?
C34E C33E C32E 120.3(6) ?
C34E C33E H33E 119.8 ?
C32E C33E H33E 119.8 ?
C35E C34E C33E 119.9(6) ?
C35E C34E H34E 120.0 ?
C33E C34E H34E 120.0 ?
C36E C35E C34E 120.0(7) ?
C36E C35E H35E 120.0 ?
C34E C35E H35E 120.0 ?
C35E C36E C31E 121.0(6) ?
C35E C36E H36E 119.5 ?
C31E C36E H36E 119.5 ?
C38E C37E C42E 119.2(4) ?
C38E C37E C30E 123.3(5) ?
C42E C37E C30E 117.5(4) ?
C37E C38E C39E 119.9(5) ?
C37E C38E H38E 120.0 ?
C39E C38E H38E 120.0 ?
C40E C39E C38E 120.8(5) ?
C40E C39E H39E 119.6 ?
C38E C39E H39E 119.6 ?
C39E C40E C41E 119.7(5) ?
C39E C40E H40E 120.1 ?
C41E C40E H40E 120.1 ?
C42E C41E C40E 120.1(6) ?
C42E C41E H41E 119.9 ?
C40E C41E H41E 119.9 ?
C41E C42E C37E 120.2(5) ?
C41E C42E H42E 119.9 ?
C37E C42E H42E 119.9 ?
O5E C43E C44E 122.8(5) ?
O5E C43E C46E 115.5(4) ?
C44E C43E C46E 121.7(5) ?
C45E C44E C43E 123.9(5) ?
C45E C44E H44E 118.1 ?
C43E C44E H44E 118.1 ?
O6E C45E C44E 123.3(5) ?
O6E C45E C52E 115.0(4) ?
C44E C45E C52E 121.6(5) ?
C51E C46E C47E 117.9(5) ?
C51E C46E C43E 124.7(5) ?
C47E C46E C43E 117.3(5) ?
C48E C47E C46E 121.7(6) ?
C48E C47E H47E 119.2 ?
C46E C47E H47E 119.2 ?
C47E C48E C49E 119.6(6) ?
C47E C48E H48E 120.2 ?
C49E C48E H48E 120.2 ?
C50E C49E C48E 119.6(6) ?
C50E C49E H49E 120.2 ?
C48E C49E H49E 120.2 ?
C49E C50E C51E 119.9(6) ?
C49E C50E H50E 120.0 ?
C51E C50E H50E 120.0 ?
C46E C51E C50E 121.3(6) ?
C46E C51E H51E 119.4 ?
C50E C51E H51E 119.4 ?
C57E C52E C53E 118.1(5) ?
C57E C52E C45E 124.1(5) ?
C53E C52E C45E 117.8(5) ?
C54E C53E C52E 120.4(5) ?
C54E C53E H53E 119.8 ?
C52E C53E H53E 119.8 ?
C55E C54E C53E 120.9(6) ?
C55E C54E H54E 119.6 ?
C53E C54E H54E 119.6 ?
C56E C55E C54E 119.4(5) ?
C56E C55E H55E 120.3 ?
C54E C55E H55E 120.3 ?
C55E C56E C57E 120.6(5) ?
C55E C56E H56E 119.7 ?
C57E C56E H56E 119.7 ?
C52E C57E C56E 120.6(5) ?
C52E C57E H57F 119.7 ?
C56E C57E H57F 119.7 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1A O4A . 2.312(3) y
Eu1A O3A . 2.339(3) y
Eu1A O1A . 2.351(3) y
Eu1A O6A . 2.354(3) y
Eu1A O2A . 2.382(3) y
Eu1A O5A . 2.413(3) y
Eu1A N1A . 2.651(4) y
Eu1A N2A . 2.661(4) y
N1A C1A . 1.326(6) ?
N1A C12A . 1.362(6) ?
O1A C13A . 1.267(5) y
C1A C2A . 1.409(6) ?
C1A H1AA . 0.95 ?
N2A C10A . 1.308(6) ?
N2A C11A . 1.374(6) ?
O2A C15A . 1.272(5) y
C2A C3A . 1.364(7) ?
C2A H2AA . 0.95 ?
O3A C28A . 1.291(5) y
C3A C4A . 1.390(7) ?
C3A H3AA . 0.95 ?
O4A C30A . 1.272(5) y
C4A C12A . 1.412(6) ?
C4A C5A . 1.440(7) ?
O5A C43A . 1.272(5) y
C5A C6A . 1.338(8) ?
C5A H5AA . 0.95 ?
O6A C45A . 1.278(5) y
C6A C7A . 1.420(7) ?
C6A H6AA . 0.95 ?
C7A C8A . 1.378(7) ?
C7A C11A . 1.412(7) ?
C8A C9A . 1.350(8) ?
C8A H8AA . 0.95 ?
C9A C10A . 1.397(8) ?
C9A H9AA . 0.95 ?
C10A H10A . 0.95 ?
C11A C12A . 1.427(6) ?
C13A C14A . 1.408(6) y
C13A C16A . 1.513(6) y
C14A C15A . 1.401(6) y
C14A H14A . 0.95 ?
C15A C22A . 1.506(6) y
C16A C17A . 1.380(6) ?
C16A C21A . 1.394(6) ?
C17A C18A . 1.375(7) ?
C17A H17A . 0.95 ?
C18A C19A . 1.391(7) ?
C18A H18A . 0.95 ?
C19A C20A . 1.369(7) ?
C19A H19A . 0.95 ?
C20A C21A . 1.371(6) ?
C20A H20A . 0.95 ?
C21A H21A . 0.95 ?
C22A C23A . 1.382(6) ?
C22A C27A . 1.395(6) ?
C23A C24A . 1.373(7) ?
C23A H23A . 0.95 ?
C24A C25A . 1.388(7) ?
C24A H24A . 0.95 ?
C25A C26A . 1.374(6) ?
C25A H25A . 0.95 ?
C26A C27A . 1.379(7) ?
C26A H26A . 0.95 ?
C27A H27A . 0.95 ?
C28A C29A . 1.385(6) y
C28A C31A . 1.498(6) y
C29A C30A . 1.406(6) y
C29A H29A . 0.95 ?
C30A C37A . 1.503(6) y
C31A C36A . 1.389(6) ?
C31A C32A . 1.404(6) ?
C32A C33A . 1.376(7) ?
C32A H32A . 0.95 ?
C33A C34A . 1.371(7) ?
C33A H33A . 0.95 ?
C34A C35A . 1.379(7) ?
C34A H34A . 0.95 ?
C35A C36A . 1.383(6) ?
C35A H35A . 0.95 ?
C36A H36A . 0.95 ?
C37A C42A . 1.377(6) ?
C37A C38A . 1.396(6) ?
C38A C39A . 1.379(6) ?
C38A H38A . 0.95 ?
C39A C40A . 1.376(7) ?
C39A H39A . 0.95 ?
C40A C41A . 1.375(7) ?
C40A H40A . 0.95 ?
C41A C42A . 1.382(6) ?
C41A H41A . 0.95 ?
C42A H42A . 0.95 ?
C43A C44A . 1.406(6) y
C43A C46A . 1.483(6) y
C44A C45A . 1.398(6) y
C44A H44A . 0.95 ?
C45A C52A . 1.494(6) y
C46A C51A . 1.396(7) ?
C46A C47A . 1.397(7) ?
C47A C48A . 1.377(7) ?
C47A H47A . 0.95 ?
C48A C49A . 1.397(8) ?
C48A H48A . 0.95 ?
C49A C50A . 1.377(9) ?
C49A H49A . 0.95 ?
C50A C51A . 1.376(8) ?
C50A H50A . 0.95 ?
C51A H51A . 0.95 ?
C52A C57A . 1.381(6) ?
C52A C53A . 1.402(6) ?
C53A C54A . 1.383(6) ?
C53A H53A . 0.95 ?
C54A C55A . 1.370(7) ?
C54A H54A . 0.95 ?
C55A C56A . 1.389(6) ?
C55A H55A . 0.95 ?
C56A C57A . 1.386(6) ?
C56A H56A . 0.95 ?
C57A H57A . 0.95 ?
Eu1B O4B . 2.332(3) ?
Eu1B O3B . 2.351(3) ?
Eu1B O5B . 2.358(3) ?
Eu1B O2B . 2.359(3) ?
Eu1B O1B . 2.362(3) ?
Eu1B O6B . 2.363(3) ?
Eu1B N1B . 2.627(4) ?
Eu1B N2B . 2.650(4) ?
N1B C1B . 1.320(6) ?
N1B C12B . 1.378(6) ?
O1B C13B . 1.264(5) ?
C1B C2B . 1.415(8) ?
C1B H1BA . 0.95 ?
N2B C10B . 1.327(6) ?
N2B C11B . 1.364(6) ?
O2B C15B . 1.258(5) ?
C2B C3B . 1.357(9) ?
C2B H2BA . 0.95 ?
O3B C28B . 1.281(5) ?
C3B C4B . 1.412(8) ?
C3B H3BA . 0.95 ?
O4B C30B . 1.274(5) ?
C4B C12B . 1.410(7) ?
C4B C5B . 1.417(9) ?
O5B C43B . 1.271(5) ?
C5B C6B . 1.334(9) ?
C5B H5BA . 0.95 ?
O6B C45B . 1.282(5) ?
C6B C7B . 1.425(8) ?
C6B H6BA . 0.95 ?
C7B C8B . 1.409(8) ?
C7B C11B . 1.410(7) ?
C8B C9B . 1.353(8) ?
C8B H8BA . 0.95 ?
C9B C10B . 1.406(6) ?
C9B H9BA . 0.95 ?
C10B H10B . 0.95 ?
C11B C12B . 1.417(7) ?
C13B C14B . 1.402(6) ?
C13B C16B . 1.513(6) ?
C14B C15B . 1.413(6) ?
C14B H14B . 0.95 ?
C15B C22B . 1.511(6) ?
C16B C21B . 1.383(6) ?
C16B C17B . 1.392(6) ?
C17B C18B . 1.399(7) ?
C17B H17B . 0.95 ?
C18B C19B . 1.381(6) ?
C18B H18B . 0.95 ?
C19B C20B . 1.381(6) ?
C19B H19B . 0.95 ?
C20B C21B . 1.378(6) ?
C20B H20B . 0.95 ?
C21B H21B . 0.95 ?
C22B C23B . 1.379(6) ?
C22B C27B . 1.395(7) ?
C23B C24B . 1.386(7) ?
C23B H23B . 0.95 ?
C24B C25B . 1.387(8) ?
C24B H24B . 0.95 ?
C25B C26B . 1.368(7) ?
C25B H25B . 0.95 ?
C26B C27B . 1.369(7) ?
C26B H26B . 0.95 ?
C27B H27B . 0.95 ?
C28B C29B . 1.399(6) ?
C28B C31B . 1.492(6) ?
C29B C30B . 1.405(6) ?
C29B H29B . 0.95 ?
C30B C37B . 1.502(6) ?
C31B C32B . 1.386(6) ?
C31B C36B . 1.388(6) ?
C32B C33B . 1.372(7) ?
C32B H32B . 0.95 ?
C33B C34B . 1.385(7) ?
C33B H33B . 0.95 ?
C34B C35B . 1.364(7) ?
C34B H34B . 0.95 ?
C35B C36B . 1.390(6) ?
C35B H35B . 0.95 ?
C36B H36B . 0.95 ?
C37B C38B . 1.394(6) ?
C37B C42B . 1.395(6) ?
C38B C39B . 1.388(6) ?
C38B H38B . 0.95 ?
C39B C40B . 1.372(7) ?
C39B H39B . 0.95 ?
C40B C41B . 1.396(7) ?
C40B H40B . 0.95 ?
C41B C42B . 1.385(6) ?
C41B H41B . 0.95 ?
C42B H42B . 0.95 ?
C43B C44B . 1.398(6) ?
C43B C46B . 1.496(6) ?
C44B C45B . 1.403(6) ?
C44B H44B . 0.95 ?
C45B C52B . 1.504(6) ?
C46B C51B . 1.391(7) ?
C46B C47B . 1.393(6) ?
C47B C48B . 1.388(6) ?
C47B H47B . 0.95 ?
C48B C49B . 1.389(7) ?
C48B H48B . 0.95 ?
C49B C50B . 1.363(7) ?
C49B H49B . 0.95 ?
C50B C51B . 1.385(7) ?
C50B H50B . 0.95 ?
C51B H51B . 0.95 ?
C52B C57B . 1.375(7) ?
C52B C53B . 1.396(6) ?
C53B C54B . 1.386(7) ?
C53B H53B . 0.95 ?
C54B C55B . 1.366(7) ?
C54B H54B . 0.95 ?
C55B C56B . 1.379(7) ?
C55B H55B . 0.95 ?
C56B C57B . 1.379(7) ?
C56B H56B . 0.95 ?
C57B H57B . 0.95 ?
Eu1C O5C . 2.319(3) ?
Eu1C O1C . 2.326(3) ?
Eu1C O3C . 2.354(3) ?
Eu1C O4C . 2.361(3) ?
Eu1C O6C . 2.382(3) ?
Eu1C O2C . 2.403(3) ?
Eu1C N1C . 2.635(4) ?
Eu1C N2C . 2.651(4) ?
N1C C1C . 1.330(6) ?
N1C C12C . 1.352(5) ?
O1C C13C . 1.279(5) ?
C1C C2C . 1.399(6) ?
C1C H1CA . 0.95 ?
N2C C10C . 1.327(6) ?
N2C C11C . 1.360(5) ?
O2C C15C . 1.274(4) ?
C2C C3C . 1.378(7) ?
C2C H2CA . 0.95 ?
O3C C28C . 1.276(5) ?
C3C C4C . 1.393(7) ?
C3C H3CA . 0.95 ?
O4C C30C . 1.266(5) ?
C4C C12C . 1.417(6) ?
C4C C5C . 1.435(7) ?
O5C C43C . 1.274(5) ?
C5C C6C . 1.331(7) ?
C5C H5CA . 0.95 ?
O6C C45C . 1.268(5) ?
C6C C7C . 1.427(7) ?
C6C H6CA . 0.95 ?
C7C C8C . 1.393(7) ?
C7C C11C . 1.413(6) ?
C8C C9C . 1.360(7) ?
C8C H8CA . 0.95 ?
C9C C10C . 1.412(6) ?
C9C H9CA . 0.95 ?
C10C H10C . 0.95 ?
C11C C12C . 1.442(6) ?
C13C C14C . 1.390(6) ?
C13C C16C . 1.501(6) ?
C14C C15C . 1.409(6) ?
C14C H14C . 0.95 ?
C15C C22C . 1.498(6) ?
C16C C17C . 1.371(6) ?
C16C C21C . 1.391(6) ?
C17C C18C . 1.390(6) ?
C17C H17C . 0.95 ?
C18C C19C . 1.381(6) ?
C18C H18C . 0.95 ?
C19C C20C . 1.379(7) ?
C19C H19C . 0.95 ?
C20C C21C . 1.392(6) ?
C20C H20C . 0.95 ?
C21C H21C . 0.95 ?
C22C C27C . 1.393(6) ?
C22C C23C . 1.399(6) ?
C23C C24C . 1.372(6) ?
C23C H23C . 0.95 ?
C24C C25C . 1.388(7) ?
C24C H24C . 0.95 ?
C25C C26C . 1.390(6) ?
C25C H25C . 0.95 ?
C26C C27C . 1.380(6) ?
C26C H26C . 0.95 ?
C27C H27C . 0.95 ?
C28C C29C . 1.403(6) ?
C28C C31C . 1.496(6) ?
C29C C30C . 1.391(7) ?
C29C H29C . 0.95 ?
C30C C37C . 1.520(6) ?
C31C C32C . 1.389(6) ?
C31C C36C . 1.392(6) ?
C32C C33C . 1.380(7) ?
C32C H32C . 0.95 ?
C33C C34C . 1.369(7) ?
C33C H33C . 0.95 ?
C34C C35C . 1.386(6) ?
C34C H34C . 0.95 ?
C35C C36C . 1.379(7) ?
C35C H35C . 0.95 ?
C36C H36C . 0.95 ?
C37C C42C . 1.378(7) ?
C37C C38C . 1.391(6) ?
C38C C39C . 1.393(6) ?
C38C H38C . 0.95 ?
C39C C40C . 1.362(7) ?
C39C H39C . 0.95 ?
C40C C41C . 1.397(7) ?
C40C H40C . 0.95 ?
C41C C42C . 1.384(7) ?
C41C H41C . 0.95 ?
C42C H42C . 0.95 ?
C43C C44C . 1.397(6) ?
C43C C46C . 1.506(6) ?
C44C C45C . 1.402(6) ?
C44C H44C . 0.95 ?
C45C C52C . 1.511(6) ?
C46C C51C . 1.369(6) ?
C46C C47C . 1.394(6) ?
C47C C48C . 1.383(6) ?
C47C H47C . 0.95 ?
C48C C49C . 1.374(6) ?
C48C H48C . 0.95 ?
C49C C50C . 1.376(7) ?
C49C H49C . 0.95 ?
C50C C51C . 1.380(7) ?
C50C H50C . 0.95 ?
C51C H51C . 0.95 ?
C52C C57C . 1.368(7) ?
C52C C53C . 1.401(6) ?
C53C C54C . 1.390(7) ?
C53C H53C . 0.95 ?
C54C C55C . 1.336(8) ?
C54C H54C . 0.95 ?
C55C C56C . 1.374(9) ?
C55C H55C . 0.95 ?
C56C C57C . 1.403(8) ?
C56C H56C . 0.95 ?
C57C H57C . 0.95 ?
Eu1D O1D . 2.338(3) ?
Eu1D O2D . 2.349(3) ?
Eu1D O4D . 2.353(3) ?
Eu1D O5D . 2.355(3) ?
Eu1D O6D . 2.371(3) ?
Eu1D O3D . 2.377(3) ?
Eu1D N2D . 2.625(4) ?
Eu1D N1D . 2.640(4) ?
N1D C1D . 1.318(5) ?
N1D C12D . 1.359(6) ?
O1D C13D . 1.275(5) ?
C1D C2D . 1.393(6) ?
C1D H1DA . 0.95 ?
N2D C10D . 1.324(6) ?
N2D C11D . 1.372(5) ?
O2D C15D . 1.285(4) ?
C2D C3D . 1.375(6) ?
C2D H2DA . 0.95 ?
O3D C28D . 1.270(5) ?
C3D C4D . 1.399(7) ?
C3D H3DA . 0.95 ?
O4D C30D . 1.278(5) ?
C4D C12D . 1.419(6) ?
C4D C5D . 1.429(7) ?
O5D C43D . 1.275(5) ?
C5D C6D . 1.350(7) ?
C5D H5DA . 0.95 ?
O6D C45D . 1.275(5) ?
C6D C7D . 1.433(6) ?
C6D H6DA . 0.95 ?
C7D C8D . 1.403(6) ?
C7D C11D . 1.409(6) ?
C8D C9D . 1.375(6) ?
C8D H8DA . 0.95 ?
C9D C10D . 1.399(6) ?
C9D H9DA . 0.95 ?
C10D H10D . 0.95 ?
C11D C12D . 1.440(6) ?
C13D C14D . 1.392(6) ?
C13D C16D . 1.501(6) ?
C14D C15D . 1.403(6) ?
C14D H14D . 0.95 ?
C15D C22D . 1.501(6) ?
C16D C17D . 1.384(6) ?
C16D C21D . 1.393(6) ?
C17D C18D . 1.387(5) ?
C17D H17D . 0.95 ?
C18D C19D . 1.377(6) ?
C18D H18D . 0.95 ?
C19D C20D . 1.381(7) ?
C19D H19D . 0.95 ?
C20D C21D . 1.376(6) ?
C20D H20D . 0.95 ?
C21D H21D . 0.95 ?
C22D C23D . 1.393(6) ?
C22D C27D . 1.408(6) ?
C23D C24D . 1.377(6) ?
C23D H23D . 0.95 ?
C24D C25D . 1.395(7) ?
C24D H24D . 0.95 ?
C25D C26D . 1.369(7) ?
C25D H25D . 0.95 ?
C26D C27D . 1.377(6) ?
C26D H26D . 0.95 ?
C27D H27D . 0.95 ?
C28D C29D . 1.408(6) ?
C28D C31D . 1.508(6) ?
C29D C30D . 1.390(6) ?
C29D H29D . 0.95 ?
C30D C37D . 1.508(6) ?
C31D C36D . 1.383(6) ?
C31D C32D . 1.401(5) ?
C32D C33D . 1.378(6) ?
C32D H32D . 0.95 ?
C33D C34D . 1.369(6) ?
C33D H33D . 0.95 ?
C34D C35D . 1.390(6) ?
C34D H34D . 0.95 ?
C35D C36D . 1.383(6) ?
C35D H35D . 0.95 ?
C36D H36D . 0.95 ?
C37D C42D . 1.378(6) ?
C37D C38D . 1.401(5) ?
C38D C39D . 1.386(6) ?
C38D H38D . 0.95 ?
C39D C40D . 1.353(7) ?
C39D H39D . 0.95 ?
C40D C41D . 1.394(7) ?
C40D H40D . 0.95 ?
C41D C42D . 1.396(6) ?
C41D H41D . 0.95 ?
C42D H42D . 0.95 ?
C43D C44D . 1.401(6) ?
C43D C46D . 1.499(6) ?
C44D C45D . 1.396(6) ?
C44D H44D . 0.95 ?
C45D C52D . 1.502(6) ?
C46D C51D . 1.392(6) ?
C46D C47D . 1.399(6) ?
C47D C48D . 1.376(6) ?
C47D H47D . 0.95 ?
C48D C49D . 1.390(6) ?
C48D H48D . 0.95 ?
C49D C50D . 1.384(6) ?
C49D H49D . 0.95 ?
C50D C51D . 1.381(6) ?
C50D H50D . 0.95 ?
C51D H51D . 0.95 ?
C52D C53D . 1.398(5) ?
C52D C57D . 1.402(6) ?
C53D C54D . 1.382(6) ?
C53D H53D . 0.95 ?
C54D C55D . 1.381(6) ?
C54D H54D . 0.95 ?
C55D C56D . 1.383(6) ?
C55D H55D . 0.95 ?
C56D C57D . 1.393(6) ?
C56D H56D . 0.95 ?
C57D H57D . 0.95 ?
Eu1E O5E . 2.331(3) ?
Eu1E O4E . 2.339(3) ?
Eu1E O3E . 2.342(3) ?
Eu1E O6E . 2.344(3) ?
Eu1E O1E . 2.361(3) ?
Eu1E O2E . 2.365(3) ?
Eu1E N1E . 2.626(4) ?
Eu1E N2E . 2.641(4) ?
N1E C1E . 1.320(6) ?
N1E C12E . 1.361(6) ?
O1E C13E . 1.262(5) ?
C1E C2E . 1.408(6) ?
C1E H1EA . 0.95 ?
N2E C10E . 1.320(6) ?
N2E C11E . 1.361(6) ?
O2E C15E . 1.279(5) ?
C2E C3E . 1.357(7) ?
C2E H2EA . 0.95 ?
O3E C28E . 1.269(5) ?
C3E C4E . 1.396(7) ?
C3E H3EA . 0.95 ?
O4E C30E . 1.264(5) ?
C4E C12E . 1.417(6) ?
C4E C5E . 1.432(7) ?
O5E C43E . 1.280(5) ?
C5E C6E . 1.330(8) ?
C5E H5EA . 0.95 ?
O6E C45E . 1.277(5) ?
C6E C7E . 1.432(7) ?
C6E H6EA . 0.95 ?
C7E C8E . 1.384(7) ?
C7E C11E . 1.433(6) ?
C8E C9E . 1.363(7) ?
C8E H8EA . 0.95 ?
C9E C10E . 1.396(7) ?
C9E H9EA . 0.95 ?
C10E H10E . 0.95 ?
C11E C12E . 1.424(7) ?
C13E C14E . 1.407(6) ?
C13E C16E . 1.505(6) ?
C14E C15E . 1.399(6) ?
C14E H14E . 0.95 ?
C15E C22E . 1.497(6) ?
C16E C21E . 1.388(6) ?
C16E C17E . 1.389(6) ?
C17E C18E . 1.391(6) ?
C17E H17E . 0.95 ?
C18E C19E . 1.391(6) ?
C18E H18E . 0.95 ?
C19E C20E . 1.382(6) ?
C19E H19E . 0.95 ?
C20E C21E . 1.384(6) ?
C20E H20E . 0.95 ?
C21E H21E . 0.95 ?
C22E C23E . 1.386(6) ?
C22E C27E . 1.398(6) ?
C23E C24E . 1.390(6) ?
C23E H23E . 0.95 ?
C24E C25E . 1.383(6) ?
C24E H24E . 0.95 ?
C25E C26E . 1.395(6) ?
C25E H25E . 0.95 ?
C26E C27E . 1.372(6) ?
C26E H26E . 0.95 ?
C27E H27E . 0.95 ?
C28E C29E . 1.412(6) ?
C28E C31E . 1.492(7) ?
C29E C30E . 1.403(6) ?
C29E H29E . 0.95 ?
C30E C37E . 1.501(6) ?
C31E C36E . 1.378(7) ?
C31E C32E . 1.406(7) ?
C32E C33E . 1.389(7) ?
C32E H32E . 0.95 ?
C33E C34E . 1.384(8) ?
C33E H33E . 0.95 ?
C34E C35E . 1.383(9) ?
C34E H34E . 0.95 ?
C35E C36E . 1.375(7) ?
C35E H35E . 0.95 ?
C36E H36E . 0.95 ?
C37E C38E . 1.386(6) ?
C37E C42E . 1.398(7) ?
C38E C39E . 1.395(7) ?
C38E H38E . 0.95 ?
C39E C40E . 1.369(8) ?
C39E H39E . 0.95 ?
C40E C41E . 1.390(7) ?
C40E H40E . 0.95 ?
C41E C42E . 1.386(7) ?
C41E H41E . 0.95 ?
C42E H42E . 0.95 ?
C43E C44E . 1.406(7) ?
C43E C46E . 1.493(6) ?
C44E C45E . 1.395(6) ?
C44E H44E . 0.95 ?
C45E C52E . 1.497(6) ?
C46E C51E . 1.374(7) ?
C46E C47E . 1.378(7) ?
C47E C48E . 1.369(7) ?
C47E H47E . 0.95 ?
C48E C49E . 1.379(8) ?
C48E H48E . 0.95 ?
C49E C50E . 1.372(8) ?
C49E H49E . 0.95 ?
C50E C51E . 1.377(7) ?
C50E H50E . 0.95 ?
C51E H51E . 0.95 ?
C52E C57E . 1.383(6) ?
C52E C53E . 1.391(7) ?
C53E C54E . 1.378(7) ?
C53E H53E . 0.95 ?
C54E C55E . 1.370(7) ?
C54E H54E . 0.95 ?
C55E C56E . 1.360(7) ?
C55E H55E . 0.95 ?
C56E C57E . 1.389(7) ?
C56E H56E . 0.95 ?
C57E H57F . 0.95 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C1A H1AA O3A 1_555 0.95 2.54 3.119(6) 120
C10A H10A O5A 1_555 0.95 2.40 3.094(8) 129
C10B H10B O5B 1_555 0.95 2.44 2.997(6) 118
C10C H10C O3C 1_555 0.95 2.38 3.016(6) 124
C10D H10D O3D 1_555 0.95 2.42 3.017(6) 121
C10E H10E O3E 1_555 0.95 2.51 3.153(6) 125
C17A H17A O1A 1_555 0.95 2.38 2.716(6) 100
C32B H32B O3B 1_555 0.95 2.40 2.736(7) 100
C47C H47C O5C 1_555 0.95 2.36 2.702(6) 100
C47E H47E O5E 1_555 0.95 2.32 2.679(6) 101
C53E H53E O6E 1_555 0.95 2.36 2.692(6) 100
C57C H57C O6C 1_555 0.95 2.40 2.730(7) 100
